SCHEMBL557629

SCHEMBL557629

Nc1ncc(Br)nc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 4/20 0.50
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
CCNA2 P20248 2/20 0.50
CDK2 P24941 2/20 0.50
CCNA1 P78396 2/20 0.50
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 2/20 0.44
PIN1 Q13526 2/20 0.44
MPO P05164 1/20 0.44
TPO P07202 1/20 0.44
EPX P11678 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL29364376 1.00 MGMT (0.50) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL25345378 0.87 MGMT (0.50) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL24215176 0.86 L3MBTL1 (0.47) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL23012125 0.85 MGMT (0.51) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL23022096 0.84 MGMT (0.53) MGMTLTA4HMAPK14MAPTRAB9A
SCHEMBL29507214 0.84 MGMT (0.53) MGMTLTA4HMAPK14MAPTRAB9A
SCHEMBL29507251 0.84 LTA4H (0.44) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL23022106 0.84 LTA4H (0.44) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL6286452 0.82 PIN1 (0.52) CYP3A4PIN1MPOMAOBDCPS
SCHEMBL19785045 0.82 L3MBTL1 (0.44) MGMTCDK1CCNB1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565476-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2026-03-03 US disclosed
US-12448368-B2 Indole compounds as androgen receptor modulators NIDO BIOSCIENCES, INC. (US) 2025-10-21 US disclosed
US-20250122176-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2025-04-17 US disclosed
US-20250092021-A9 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. 2025-03-20 US disclosed
EP-3768664-B1 PYRAZINONE DERIVATIVES AS SHP2 INHIBITORS AND USES THEREOF SUZHOU PUHE BIOPHARMA CO LTD (CN) 2024-09-04 EP disclosed
US-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-04-11 US disclosed
EP-4302834-A2 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2024-01-10 EP disclosed
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2023-11-02 US disclosed
CN-116478131-A 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors 锐新医药公司 2023-07-25 CN disclosed
WO-2011143423-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2011143423-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
EP-1948652-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2011-08-24 EP disclosed
US-7858643-B2 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib AGOURON PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20100324061-A1 including crizotinib which is 3-[(R)-1-(2-chloro-3,6-difluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; c-met inhibitors; hepatocyte growth factor (HGF) receptor (c-MET) receptor tyrosine kinase (RTK) AGOURON PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-20100056530-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-03-04 US disclosed
EP-1948652-A1 GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2008-07-30 EP disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 US disclosed
WO-2007053345-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-05-10 WO disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 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 (9 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-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 MGMT 2775/4885CDK1 2708/4885CCNB1 4535/4885
US-20100324061-A1 including crizotinib which is 3-[(R)-1-(2-chloro-3,6-difluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; c-met inhibitors; hepatocyte growth factor (HGF) receptor (c-MET) receptor tyrosine kinase (RTK) MET, HGF, ALK MGMT 1449/4885CDK1 443/4885CCNB1 1700/4885
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 MGMT 4049/4885CDK1 778/4885CCNB1 2550/4885
US-20250122176-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 MGMT 4062/4885CDK1 806/4885CCNB1 2381/4885
US-20250092021-A9 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 MGMT 4062/4885CDK1 806/4885CCNB1 2381/4885
US-12448368-B2 Indole compounds as androgen receptor modulators AR, FSHR, ADRB3 MGMT 4311/4885CDK1 843/4885CCNB1 2445/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MGMT 748/4885CDK1 144/4885CCNB1 825/4885
US-20100056530-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 MGMT 3149/4885CDK1 2140/4885CCNB1 3106/4885
US-12565476-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN6, PTPN2 MGMT 3162/4885CDK1 2071/4885CCNB1 4216/4885

“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.