SCHEMBL14693504

SCHEMBL14693504

CC(C)(C)OC(=O)Nc1ncnc2c1c(I)nn2-c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.38
▸ KDR P35968 3/20 0.38
▸ EGFR P00533 3/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ PRKDC P78527 2/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ AURKA O14965 2/20 0.37
▸ RPS6KB1 P23443 2/20 0.37
▸ SRC P12931 4/20 0.37
▸ HCK P08631 2/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.35

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
SCHEMBL14693427 0.89 AURKA (0.38) ABL1KDREGFRPIK3CDPIK3CA
SCHEMBL14706378 0.88 ABL1 (0.41) ABL1KDREGFRPIK3CDPIK3CA
SCHEMBL14693526 0.87 ABL1 (0.37) ABL1KDREGFRPIK3CDPIK3CA
SCHEMBL14693484 0.86 SLC29A1 (0.43) PRMT1GPR119MAPK14KDM4EALDH1A1
SCHEMBL14693432 0.81 AURKA (0.41) ABL1KDREGFRPIK3CDPIK3CA
SCHEMBL14617848 0.80 BTK (0.47) ABL1KDREGFRPIK3CDPIK3CA
SCHEMBL14693482 0.79 ABL1 (0.43) ABL1EGFRAURKARPS6KB1PRMT1
SCHEMBL14706374 0.79 BTK (0.37) EGFRAURKARPS6KB1SRCHCK
SCHEMBL15087023 0.79 GPR119 (0.52) GPR119KDM4EALDH1A1HTT
SCHEMBL14693562 0.78 AURKA (0.35) ABL1KDREGFRPIK3CDPIK3CA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9273051-B2 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-03-01 — — US disclosed
US-9273051-B2 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-03-01 — — US disclosed
US-9273051-B2 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-03-01 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — US disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — 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 (1 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-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, LYN ABL1 108/4885KDR 1397/4885EGFR 1715/4885

“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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