SCHEMBL5659028

SCHEMBL5659028

Clc1nccc(-n2ccc3ccccc32)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.68
CDK2 P24941 11/20 0.67
CDC7 O00311 10/20 0.67
ROCK1 Q13464 5/20 0.67
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 2/20 0.50
MAPK8 P45983 2/20 0.50
MAPK9 P45984 2/20 0.50
MAPK10 P53779 1/20 0.50
MAP3K14 Q99558 2/20 0.49
BIRC5 O15392 1/20 0.49
MAPT P10636 1/20 0.44
JUN P05412 1/20 0.41

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
SCHEMBL30459871 1.00 RPS6KA5 (0.68) RPS6KA5CDK2CDC7ROCK1MKNK1
SCHEMBL19100953 0.82 CDC7 (0.68) RPS6KA5CDK2CDC7MAPT
SCHEMBL19337066 0.81 RPS6KA5 (0.61) RPS6KA5CDK2CDC7ROCK1MAP3K14
SCHEMBL19100965 0.81 RPS6KA5 (1.00) RPS6KA5CDK2CDC7ROCK1MAP3K14
SCHEMBL19100396 0.81 CDC7 (0.68) RPS6KA5CDK2CDC7ROCK1MKNK2
SCHEMBL9377410 0.80 CDC7 (1.00) CDK2CDC7ROCK1MAP3K14
SCHEMBL19533417 0.80 CDK2 (0.67) RPS6KA5CDK2CDC7ROCK1MKNK1
SCHEMBL30753972 0.80 CDC7 (1.00) CDK2CDC7ROCK1MAP3K14
SCHEMBL17888130 0.79 CDC7 (0.68) RPS6KA5CDK2CDC7ROCK1MAP3K14
SCHEMBL28664988 0.79 CDC7 (0.56) RPS6KA5CDK2CDC7ROCK1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331037-B2 Pyrimidines as EGFR-inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-06-17 US disclosed
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
EP-3345900-B1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF BEBETTER MED INC (CN) 2024-06-12 EP disclosed
US-20230348434-A1 NOVEL PYRIMIDINES AS EGFR-INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2023-11-02 US disclosed
US-11673882-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-13 US disclosed
US-20230115945-A1 AMINOPYRIMIDINE COMPOUNDS TYRA BIOSCIENCES, INC. 2023-04-13 US disclosed
EP-4085055-A1 AMINOPYRIMIDINE COMPOUNDS Tyra Biosciences, Inc. (US) 2022-11-09 EP disclosed
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof BEBETTER MED INC. (CN) 2022-03-08 US disclosed
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 US disclosed
CN-113563332-A Novel pyrimidines as EGFR inhibitors and methods of treating disorders 达纳-法伯癌症研究所公司 2021-10-29 CN disclosed
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 WO disclosed
WO-2016105525-A2 NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-30 WO disclosed
CN-101568530-A Indol-4-yl-pyrimidinyl-2-yl-amine derivatives and use thereof as cyclin dependant kinase inhibitors NOVARTIS AG (CH) 2009-10-28 CN disclosed
US-7282504-B2 Kinase inhibitors AMGEN INC. (US) 2007-10-16 US disclosed
US-7282504-B2 Kinase inhibitors AMGEN INC. (US) 2007-10-16 US disclosed
US-7282504-B2 Kinase inhibitors AMGEN INC. (US) 2007-10-16 US disclosed
US-20050203114-A1 Kinase inhibitors AMGEN INC. (US) 2005-09-15 US disclosed
US-20030199534-A1 Di-substituted pyrimidine compound for treating or modulating disease in which phosphoryl transferase, including kinases may be involved AMGEN INC. 2003-10-23 US disclosed
US-20030004174-A9 Kinase inhibitors AMGEN INC. 2003-01-02 US disclosed
US-20020052386-A1 Kinase inhibitors ARMISTEAD DAVID M (US) 2002-05-02 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 (11 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-20050203114-A1 Kinase inhibitors MAP3K20, MAP3K1, MAP3K6 RPS6KA5 352/4885CDK2 48/4885CDC7 111/4885
US-20230348434-A1 NOVEL PYRIMIDINES AS EGFR-INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB3 RPS6KA5 517/4885CDK2 66/4885CDC7 635/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD RPS6KA5 1451/4885CDK2 132/4885CDC7 2444/4885
US-20030199534-A1 Di-substituted pyrimidine compound for treating or modulating disease in which phosphoryl transferase, including kinases may be involved DTYMK, PHKG1, TK1 RPS6KA5 443/4885CDK2 31/4885CDC7 66/4885
US-20030004174-A9 Kinase inhibitors MAP3K20, MAP3K1, MAP3K6 RPS6KA5 352/4885CDK2 48/4885CDC7 111/4885
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof EGFR, ERBB2, KRAS RPS6KA5 559/4885CDK2 803/4885CDC7 2976/4885
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 RPS6KA5 1335/4885CDK2 450/4885CDC7 2184/4885
US-11673882-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders EGFR, ERBB2, ERBB3 RPS6KA5 498/4885CDK2 61/4885CDC7 646/4885
US-20230115945-A1 AMINOPYRIMIDINE COMPOUNDS FGFR2, FGFR1, FGFR4 RPS6KA5 178/4885CDK2 24/4885CDC7 624/4885
US-20020052386-A1 Kinase inhibitors MAP3K20, MAP3K1, MAP3K6 RPS6KA5 352/4885CDK2 48/4885CDC7 111/4885
US-12331037-B2 Pyrimidines as EGFR-inhibitors and methods of treating disorders EGFR, ERBB2, ERBB3 RPS6KA5 656/4885CDK2 67/4885CDC7 632/4885

“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.