SCHEMBL239630

SCHEMBL239630

CCc1ccnc2[nH]ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.54
PRKCI P41743 3/20 0.53
AXL P30530 1/20 0.53
CCNK O75909 2/20 0.49
CDK12 Q9NYV4 2/20 0.49
IKBKB O14920 5/20 0.47
CHUK O15111 4/20 0.47
AURKB Q96GD4 3/20 0.47
ROCK1 Q13464 2/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47

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
SCHEMBL13069320 0.85 PRKCI (0.50) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL28311692 0.85 PRKCI (0.53) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL14499242 0.83 NUDT1 (0.47) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL19648515 0.82 PRKCI (0.47) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL14416607 0.81 PRKCI (0.50) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL2602399 0.81 PRKCI (0.53) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL3088057 0.81 PRKCI (0.58) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL1748621 0.81 PRKCI (0.53) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL1752655 0.81 PRKCI (0.53) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL14534111 0.81 PRKCI (0.53) NUDT1PRKCIAXLCCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687267-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-12-20 EP claimed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 US disclosed
US-20230286943-A1 IL-17A MODULATORS SANOFI (FR) 2023-09-14 US disclosed
US-20230227427-A1 IL-17A MODULATORS SANOFI (FR) 2023-07-20 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2023-01-05 US disclosed
WO-2022118016-A2 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-06-09 WO disclosed
WO-2022002118-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF 四川海思科制药有限公司 2022-01-06 WO disclosed
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-15 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-17 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 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 (13 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET NUDT1 199/4885PRKCI 2035/4885AXL 874/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET NUDT1 199/4885PRKCI 2035/4885AXL 874/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB NUDT1 791/4885PRKCI 56/4885AXL 736/4885
US-20230227427-A1 IL-17A MODULATORS IL17A, IL2, IL15 NUDT1 3656/4885PRKCI 1186/4885AXL 3745/4885
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS NUDT1 256/4885PRKCI 586/4885AXL 2627/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF NUDT1 1265/4885PRKCI 262/4885AXL 446/4885
US-11773091-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 NUDT1 2157/4885PRKCI 3753/4885AXL 530/4885
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 NUDT1 64/4885PRKCI 2158/4885AXL 1055/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 NUDT1 3890/4885PRKCI 4366/4885AXL 914/4885
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, ROCK2 NUDT1 987/4885PRKCI 176/4885AXL 1648/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A NUDT1 2305/4885PRKCI 13/4885AXL 1473/4885
US-20230286943-A1 IL-17A MODULATORS IL17A, IL2, IL15 NUDT1 3656/4885PRKCI 1186/4885AXL 3745/4885
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, IP6K1, PDXK NUDT1 1573/4885PRKCI 413/4885AXL 4682/4885

“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.