SCHEMBL323094

SCHEMBL323094

COc1ncc(Br)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
EGFR P00533 5/20 0.38
ERBB2 P04626 4/20 0.38
PIK3CA P42336 1/20 0.36
GAK O14976 1/20 0.36
RECQL P46063 1/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SRC P12931 2/20 0.34
CHEK1 O14757 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
POLB P06746 2/20 0.34
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL31294273 1.00 GAA (0.40) GAAEGFRERBB2PIK3CAGAK
SCHEMBL9954706 0.81 PIK3CA (0.33) EGFRERBB2PIK3CAKMT2A
SCHEMBL392280 0.81 LMNA (0.43) KDM4EALDH1A1MEN1KMT2ASRC
SCHEMBL15046199 0.79 GAA (0.44) GAAEGFRERBB2PIK3CARECQL
SCHEMBL25117929 0.78 LMNA (0.42) GAAEGFRERBB2PIK3CAKMT2A
SCHEMBL18839637 0.78 KDM4E (0.49) GAAEGFRERBB2PIK3CARECQL
SCHEMBL21412856 0.78 GAA (0.40) GAAEGFRERBB2PIK3CACYP11B1
SCHEMBL20670341 0.78 GAA (0.40) GAAPIK3CARECQLKDM4EALDH1A1
SCHEMBL15053307 0.78 GAA (0.40) GAAPIK3CARECQLKDM4EALDH1A1
SCHEMBL31046671 0.78 KDM4E (0.49) GAAEGFRERBB2PIK3CARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059181-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2025-02-20 US disclosed
US-12172975-B2 1H-indazole carboxamides as receptor-interacting protein kinase 1 inhibitors (RIPK1) BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-24 US disclosed
CN-112673000-B 1H-indazole carboxamides as receptor interacting protein kinase 1 inhibitors (RIPK 1) 百时美施贵宝公司 2024-10-18 CN disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
CN-114315826-B Pyridopyrimidine compound and application thereof 西安交通大学 2023-05-16 CN disclosed
CN-115894451-A Selenium-containing PI3K delta inhibitor, application thereof in diseases caused by PI3K delta overexpression and medicine 西安爱思益生物科技有限公司 2023-04-04 CN disclosed
EP-3849968-B1 1H-INDAZOLE CARBOXAMIDES AS RECEPTOR-INTERACTING PROTEIN KINASE 1 INHIBITORS (RIPK1) BRISTOL MYERS SQUIBB CO (US) 2022-12-21 EP disclosed
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-04-04 US disclosed
WO-2012101239-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2012-08-02 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2012-03-15 US disclosed
WO-2012004299-A1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-01-12 WO disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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 (7 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD GAA 259/4885EGFR 2771/4885ERBB2 2537/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 GAA 1471/4885EGFR 651/4885ERBB2 152/4885
US-12172975-B2 1H-indazole carboxamides as receptor-interacting protein kinase 1 inhibitors (RIPK1) RIPK1, RIPK3, RIPK2 GAA 4535/4885EGFR 797/4885ERBB2 329/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 GAA 2968/4885EGFR 1/4885ERBB2 2/4885
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors EGFR, ERBB2, ERBB3 GAA 2968/4885EGFR 1/4885ERBB2 2/4885
US-20250059181-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS GAA 410/4885EGFR 1329/4885ERBB2 87/4885
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS GAA 410/4885EGFR 1329/4885ERBB2 87/4885

“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.