SCHEMBL398553

SCHEMBL398553

CCOC(=O)C(=O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
PIN1 Q13526 1/20 0.54
PIN4 Q9Y237 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL31440149 1.00 ALDH1A1 (0.59) ALDH1A1CA12CA9PIN1PIN4
SCHEMBL1234118 0.87 ALDH1A1 (0.56) ALDH1A1CA12CA9PIN1PIN4
SCHEMBL1234113 0.87 ALDH1A1 (0.56) ALDH1A1CA12CA9PIN1PIN4
SCHEMBL7852944 0.84 HPGD (0.53) ALDH1A1MEN1KMT2AMAPT
SCHEMBL877582 0.83 CA12 (0.58) ALDH1A1CA12CA9MEN1KMT2A
SCHEMBL11453331 0.83 ALDH1A1 (0.77) ALDH1A1CA12CA9PIN1PIN4
SCHEMBL11469793 0.82 MEN1 (0.65) ALDH1A1CA12CA9PIN1PIN4
SCHEMBL11469792 0.82 MEN1 (0.65) ALDH1A1CA12CA9PIN1PIN4
SCHEMBL9503716 0.82 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL1233999 0.80 KMT2A (0.51) ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS LLC (US) 2022-07-07 US disclosed
CN-114075190-A Heterocyclic BTK inhibitors 北京诺诚健华医药科技有限公司 2022-02-22 CN disclosed
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. 2020-09-17 US disclosed
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2020-09-03 US disclosed
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-02-20 US disclosed
WO-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
EP-1781660-A1 IMIDAZOPYRAZINE AS TYROSINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-05-09 EP disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US disclosed
WO-2006012422-A1 IMIDAZOPYRAZINE AS TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-02-02 WO disclosed
US-20060019957-A1 Imidazotriazines as protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 WO 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 (8 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-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase ABL1, BTK, ABL2 ALDH1A1 4117/4885CA12 4555/4885CA9 3749/4885
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN ALDH1A1 3975/4885CA12 3193/4885CA9 1134/4885
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN ALDH1A1 4521/4885CA12 4307/4885CA9 3811/4885
US-20060019957-A1 Imidazotriazines as protein kinase inhibitors IGF1R, IRS1, INSR ALDH1A1 1411/4885CA12 4841/4885CA9 4396/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 ALDH1A1 4496/4885CA12 3537/4885CA9 2453/4885
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE ABL1, BTK, ABL2 ALDH1A1 4019/4885CA12 4589/4885CA9 3690/4885
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN ALDH1A1 4521/4885CA12 4307/4885CA9 3811/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 ALDH1A1 3941/4885CA12 4837/4885CA9 4378/4885

“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.