SCHEMBL793897

SCHEMBL793897

COC(OC)c1ccncc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
AXL P30530 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
BLM P54132 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHUK O15111 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31

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
SCHEMBL783489 0.82 CA12 (0.33) CA12CA1CA2CA9AXL
SCHEMBL1770142 0.79 CA12 (0.38) CA12CA1CA2CA9AXL
SCHEMBL31250363 0.77 RPS6KA3 (0.42) CA12CA1CA2CA9AXL
SCHEMBL3810939 0.77 RPS6KA3 (0.42) CA12CA1CA2CA9AXL
SCHEMBL15065158 0.76 RPS6KA3 (0.36) CA12CA1CA2CA9CA14
SCHEMBL14992193 0.75 SLC6A2 (0.33) CHUK
SCHEMBL16011547 0.74 AXL (0.36) AXLCCNCCDK8TP53CYP3A4
SCHEMBL782704 0.73 RPS6KA3 (0.37) AXLCCNCCDK8TP53CYP3A4
SCHEMBL3782423 0.72 AXL (0.35) AXLCCNCCDK8TP53CYP3A4
SCHEMBL1874193 0.72 ERN1 (0.36) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129099-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2025-04-24 US disclosed
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
EP-4426707-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-09-11 EP disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
WO-2024063576-A1 NOVEL QUINAZOLINE COMPOUND AS KRAS INHIBITOR 일동제약(주) 2024-03-28 WO disclosed
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-09-21 US disclosed
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 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 (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-20250129099-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS API5, XIAP, BIRC5 CA12 3900/4885CA1 2696/4885CA2 3030/4885
US-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 CA12 3016/4885CA1 2451/4885CA2 2411/4885
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 CA12 2989/4885CA1 3047/4885CA2 2364/4885
US-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK CA12 4746/4885CA1 4343/4885CA2 4350/4885
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A CA12 2502/4885CA1 2514/4885CA2 2943/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK CA12 4746/4885CA1 4343/4885CA2 4350/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CA12 1278/4885CA1 501/4885CA2 1127/4885
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS API5, XIAP, BIRC5 CA12 3900/4885CA1 2696/4885CA2 3030/4885

“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.