SCHEMBL42128

SCHEMBL42128

Nc1nc2cc(Br)ccn2n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.57
PIK3CG P48736 14/20 0.44
PIK3CD O00329 12/20 0.44
PIK3CB P42338 2/20 0.39
PIK3CA P42336 2/20 0.39
PAK4 O96013 1/20 0.39
JAK1 P23458 1/20 0.39
CSNK1A1 P48729 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
PABPC1 P11940 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL9104806 0.80 AHR (0.61) AHRPIK3CGPIK3CDPIK3CA
SCHEMBL15774157 0.77 PIK3CG (0.47) PIK3CGPIK3CDPIK3CBPIK3CAPAK4
SCHEMBL27037213 0.77 CYP11B1 (0.46) AHRPIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL15537648 0.77 PIK3CG (0.44) AHRPIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL20641321 0.77 PIK3CG (0.44) AHRPIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL31096177 0.77 AHR (0.57) AHR
SCHEMBL27038051 0.77 AHR (0.57) AHR
SCHEMBL616699 0.77 AHR (0.57) AHRPIK3CGPIK3CDPIK3CA
Bromide SCHEMBL23356680 0.76 PIK3CG (0.43) AHRPIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL23761284 0.74 PIK3CG (0.43) AHRPIK3CGPIK3CDPIK3CBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120476110-B Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof SHANGHAI HANSOH BIOMEDICAL Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-122071464-A Heterocyclic compound, pharmaceutical composition thereof and application thereof 上海璎黎药业有限公司 2026-05-22 CN disclosed
EP-4741376-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2026-05-13 EP disclosed
US-12612403-B2 Nitrogen-containing heterocyclic derivative inhibitor, and preparation method therefor and use thereof SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2026-04-28 US disclosed
US-12509455-B2 Imidazopyridine derivatives and aza-imidazopyridine derivatives as Janus kinase 2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-12-30 US disclosed
US-20250388578-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-12-25 US disclosed
US-20250197390-A1 FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2025-06-19 US disclosed
CN-119998271-A Pyridone compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2025-05-13 CN disclosed
WO-2025096061-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO disclosed
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO disclosed
US-7524860-B2 Antibacterial agents PFIZER INC. (US) 2009-04-28 US disclosed
US-7524860-B2 Antibacterial agents PFIZER INC. (US) 2009-04-28 US disclosed
US-20080021059-A1 Antibacterial Agents PFIZER INC. (US) 2008-01-24 US disclosed
US-20080021059-A1 Antibacterial Agents PFIZER INC. (US) 2008-01-24 US disclosed
EP-1799680-A2 TRIAZOLOPYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
WO-2006038116-A2 TRIAZOLOPYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 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 (6 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-12612403-B2 Nitrogen-containing heterocyclic derivative inhibitor, and preparation method therefor and use thereof FAR1, NPR1, CBR1 AHR 265/4885PIK3CG 1740/4885PIK3CD 2006/4885
US-20250388578-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF FAR1, NPR1, CBR1 AHR 265/4885PIK3CG 1740/4885PIK3CD 2006/4885
US-20250197390-A1 FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF RIPK1, RIPK4, MLKL AHR 2460/4885PIK3CG 413/4885PIK3CD 338/4885
US-12509455-B2 Imidazopyridine derivatives and aza-imidazopyridine derivatives as Janus kinase 2 inhibitors and uses thereof JAK1, JAK2, JAK3 AHR 777/4885PIK3CG 987/4885PIK3CD 438/4885
US-20080021059-A1 Antibacterial Agents CLPP, QDPR, CLSPN AHR 3441/4885PIK3CG 1002/4885PIK3CD 806/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT AHR 617/4885PIK3CG 3467/4885PIK3CD 3414/4885

“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.