SCHEMBL359475

SCHEMBL359475

Nc1ncncc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
HSP90AA1 P07900 2/20 0.35
TKT P29401 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EGFR P00533 3/20 0.33
PI4KB Q9UBF8 2/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL29953246 0.74
SCHEMBL10188362 0.74
Hydrochloric Acid SCHEMBL358759 0.73
SCHEMBL29950852 0.73 CDC25B (0.31)
SCHEMBL1461122 0.70 MALT1 (0.32)
SCHEMBL2487187 0.70 EGFR (0.34) EGFRCYP1A2CYP3A4KMT2A
SCHEMBL20519013 0.70 CYP17A1 (0.31)
SCHEMBL18794928 0.70 DGAT1 (0.33) DGAT1
SCHEMBL31737972 0.69
SCHEMBL30388054 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2024-10-10 US disclosed
EP-4368618-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2024-05-15 EP disclosed
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
US-20220013730-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK KGAA (DE) 2022-01-13 US disclosed
WO-2020109434-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
US-9598436-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
EP-2760870-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-05-04 EP disclosed
US-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-04-07 US disclosed
US-9242967-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
CN-103140490-A Azaindazole compounds BRISTOL MYERS SQUIBB CO 2013-06-05 CN disclosed
EP-2593453-A1 AZAINDAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-22 EP disclosed
WO-2013049263-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2012044537-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012044537-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012009510-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO disclosed
WO-2012009510-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 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 (4 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-20220013730-A1 COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2C19, ESR1 DGAT1 2184/4885HSP90AA1 3642/4885TKT 1528/4885
US-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP1A2, CYP3A43, CYP4A22 DGAT1 3894/4885HSP90AA1 3696/4885TKT 3453/4885
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF MALT1, CYP51A1, BCR DGAT1 2882/4885HSP90AA1 780/4885TKT 3219/4885
US-20130184254-A1 AZAINDAZOLE COMPOUNDS CYP3A4, CYP4B1, CYP3A43 DGAT1 3818/4885HSP90AA1 3158/4885TKT 3219/4885

“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.