SCHEMBL4481815

SCHEMBL4481815

CNc1ccc2ncncc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 1.00
AR P10275 1/20 0.51
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
FGFR4 P22455 1/20 0.43
BRAF P15056 2/20 0.42
IMPDH2 P12268 1/20 0.40
ERBB2 P04626 3/20 0.39
TDO2 P48775 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL18181214 0.85 EGFR (1.00) EGFRARPIK3CDPIK3CAIMPDH2
SCHEMBL24783500 0.81 EGFR (0.69) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL28041954 0.81 EGFR (0.69) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL16368637 0.81 EGFR (0.68) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL21646348 0.81 EGFR (0.68) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL23055235 0.81 EGFR (0.68) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL2998449 0.81 EGFR (0.68) EGFRARPIK3CDPIK3CAFGFR4
SCHEMBL24782968 0.81 EGFR (0.68) EGFRARPIK3CDPIK3CAFGFR4
Hydrochloric Acid SCHEMBL25267663 0.80 EGFR (0.67) EGFRARPIK3CDPIK3CAFGFR4
Benzene SCHEMBL28800798 0.79 EGFR (0.65) EGFRARPIK3CDPIK3CAFGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
WO-2023086220-A2 PAPD5 INHIBITORS AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-05-19 WO disclosed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
US-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-03-31 US disclosed
US-11230531-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2022-01-25 US disclosed
EP-3917627-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2021-12-08 EP disclosed
WO-2021141041-A1 THERAPEUTIC AGENT FOR TAUOPATHIES 大日本住友製薬株式会社 2021-07-15 WO disclosed
WO-2021039961-A1 RING-FUSED PYRAZOLE DERIVATIVE 大日本住友製薬株式会社 2021-03-04 WO disclosed
US-9242975-B2 Heterocyclic-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9242976-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-8987311-B2 Triazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-02-12 US disclosed
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-01-08 US disclosed
US-7572798-B2 Prevent Dna damage; antitumor, anticancer agents; blocking epidermal growth factor receptor MCGILL UNIVERSITY (CA) 2009-08-11 US disclosed
EP-1366027-B1 COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES UNIV MCGILL (CA) 2006-09-20 EP disclosed
US-20040086907-A1 Combi-molecules having signal transduction inhibitory properties and dna damaging properties QIU, QIYU 2004-05-06 US disclosed
EP-1366027-A1 COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES McGILL UNIVERSITY (CA) 2003-12-03 EP disclosed
WO-2002068396-A1 COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES MCGILL UNIVERSITY (CA) 2002-09-06 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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB EGFR 1481/4885AR 1786/4885PIK3CD 122/4885
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM EGFR 3594/4885AR 3770/4885PIK3CD 704/4885
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK3, IRAK1 EGFR 916/4885AR 2940/4885PIK3CD 122/4885
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK2 EGFR 972/4885AR 2722/4885PIK3CD 283/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 EGFR 4765/4885AR 3678/4885PIK3CD 3545/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM EGFR 3594/4885AR 3770/4885PIK3CD 704/4885
US-11230531-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof AR, BRCA1, AHR EGFR 1577/4885AR 1/4885PIK3CD 2701/4885
US-20040086907-A1 Combi-molecules having signal transduction inhibitory properties and dna damaging properties EGFR, PCNA, ERCC2 EGFR 1/4885AR 2131/4885PIK3CD 334/4885

“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.