SCHEMBL410217

SCHEMBL410217

CC(C)c1nc(C(C)C)n2ncnc(N)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 4/20 0.40
▸ KDR P35968 3/20 0.40
▸ ACVRL1 P37023 4/20 0.38
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ NTRK1 P04629 1/20 0.33
▸ NTRK2 Q16620 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ TNK2 Q07912 1/20 0.30
▸ PDE2A O00408 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13968294 0.84 ALDH1A1 (0.31) RETKDR
SCHEMBL13077692 0.83 RET (0.40) RETKDRACVRL1ADORA2AADORA1
SCHEMBL10260070 0.83 RET (0.40) RETKDRACVRL1ADORA2AADORA1
SCHEMBL19476929 0.82 RET (0.39) RETKDRACVRL1ADORA2AADORA1
SCHEMBL21733364 0.81 ALDH1A1 (0.33) —
SCHEMBL15932550 0.80 RET (0.38) RETKDRACVRL1ADORA2AADORA1
SCHEMBL19303648 0.80 ACVRL1 (0.38) RETKDRACVRL1ADORA2AADORA1
SCHEMBL20371382 0.78 — —
SCHEMBL22037087 0.78 — —
SCHEMBL27439393 0.71 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS LLC (US) 2022-07-07 — — US disclosed
US-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-10-28 — — US disclosed
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. 2020-09-17 — — US disclosed
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-02-20 — — US disclosed
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 — — US disclosed
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 — — US disclosed
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 — — US disclosed
US-9795605-B2 Inhibitors of Bruton's tyrosine kinase for the treatment of solid tumors PHARMACYCLICS LLC (US) 2017-10-24 — — US disclosed
US-9795605-B2 Inhibitors of Bruton's tyrosine kinase for the treatment of solid tumors PHARMACYCLICS LLC (US) 2017-10-24 — — US disclosed
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors PHARMACYCLICS, INC. 2017-08-31 — — US disclosed
US-7960396-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2011-06-14 — — US disclosed
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-01-13 — — US disclosed
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-01-13 — — US disclosed
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-12-30 — — US disclosed
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. A DELAWARE CORPORATION (US) 2010-12-23 — — US disclosed
US-7825118-B2 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2010-11-02 — — US disclosed
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2010-10-07 — — US disclosed
US-7732454-B2 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2010-06-08 — — US disclosed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 — — US disclosed
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-03-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 RET 333/4885KDR 1295/4885ACVRL1 3480/4885
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase ABL1, BTK, ABL2 RET 333/4885KDR 1295/4885ACVRL1 3480/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN RET 166/4885KDR 997/4885ACVRL1 4164/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN RET 733/4885KDR 2089/4885ACVRL1 4811/4885
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN RET 166/4885KDR 997/4885ACVRL1 4164/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN RET 733/4885KDR 2089/4885ACVRL1 4811/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 RET 333/4885KDR 1295/4885ACVRL1 3480/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN RET 733/4885KDR 2089/4885ACVRL1 4811/4885
US-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF BTK, LCK, SYK RET 1193/4885KDR 1518/4885ACVRL1 2663/4885
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents BTK, LCK, LYN RET 1577/4885KDR 2006/4885ACVRL1 4824/4885
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE ABL1, BTK, ABL2 RET 216/4885KDR 820/4885ACVRL1 3130/4885
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents BTK, LCK, LYN RET 1682/4885KDR 2105/4885ACVRL1 4820/4885
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors BTK, ABL1, LYN RET 166/4885KDR 997/4885ACVRL1 4164/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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