SCHEMBL899166

SCHEMBL899166

COC(=O)c1cc2c(Cl)ccnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.45
SRC P12931 5/20 0.45
NUDT1 P36639 5/20 0.44
SYK P43405 1/20 0.43
CYP1A2 P05177 1/20 0.41
DAO P14920 1/20 0.41
ALPL P05186 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
AXL P30530 1/20 0.40
PRKCI P41743 1/20 0.40

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
SCHEMBL30226495 1.00 ABL1 (0.45) ABL1SRCNUDT1SYKCYP1A2
SCHEMBL17126117 0.86 NUDT1 (0.48) NUDT1ALPLALDH1A1MAPT
SCHEMBL31420506 0.86 NUDT1 (0.41) NUDT1DAOAXLPRKCI
SCHEMBL26620152 0.83 ABL1 (0.43) ABL1SRCNUDT1SYKCYP1A2
SCHEMBL30883103 0.83 ABL1 (0.43) ABL1SRCNUDT1SYKCYP1A2
SCHEMBL23147720 0.83 NUDT1 (0.46) ABL1NUDT1SYKDAOAXL
SCHEMBL20839678 0.83 GRIN1 (0.46) NUDT1DAOAXLPRKCI
SCHEMBL30239581 0.83 GRIN1 (0.46) NUDT1DAOAXLPRKCI
SCHEMBL22554309 0.82 ABL1 (0.44) ABL1SRCNUDT1CYP1A2DAO
SCHEMBL20839976 0.82 NUDT1 (0.63) NUDT1SYKDAOMAPTAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
US-12479826-B2 Pyridazinyl amino derivatives as ALK5 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-11-25 US disclosed
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
US-20250011299-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-01-09 US disclosed
US-20240376076-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) DANA-FARBER CANCER INSTITUTE, INC. 2024-11-14 US disclosed
EP-4182308-B1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARM SPA (IT) 2024-09-04 EP disclosed
US-20240190891-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-06-13 US disclosed
EP-4373816-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) Dana-Farber Cancer Institute, Inc. (US) 2024-05-29 EP disclosed
EP-4182323-B1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARM SPA (IT) 2024-04-24 EP disclosed
US-20150376185-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-12-31 US disclosed
US-9145416-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-29 US disclosed
US-9102673-B2 Substituted pyrrolo[3,2-c]pyridines as TrkA kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-11 US disclosed
US-20150011470-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-08 US disclosed
US-8859577-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-20140155413-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. 2014-06-05 US disclosed
EP-2621493-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2013-08-07 EP disclosed
US-20130190334-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2013-07-25 US disclosed
WO-2012042433-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-04-05 WO disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 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 (10 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-20130190334-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC ABL1 4620/4885SRC 4173/4885NUDT1 2815/4885
US-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB ABL1 445/4885SRC 197/4885NUDT1 3400/4885
US-20150376185-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC ABL1 4501/4885SRC 4015/4885NUDT1 2792/4885
US-20240376076-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) USP7, USP47, USP2 ABL1 2350/4885SRC 3574/4885NUDT1 3636/4885
US-12479826-B2 Pyridazinyl amino derivatives as ALK5 inhibitors ALK, TGFBR1, ACVR1 ABL1 173/4885SRC 1524/4885NUDT1 2231/4885
US-20140155413-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGF, NGFR, NTRK2 ABL1 79/4885SRC 167/4885NUDT1 3239/4885
US-20250011299-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS ALK, TGFBR1, ACVR1 ABL1 173/4885SRC 1524/4885NUDT1 2231/4885
US-20150011470-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC ABL1 4501/4885SRC 4015/4885NUDT1 2792/4885
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB ABL1 1045/4885SRC 3048/4885NUDT1 1609/4885
US-20240190891-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS TGFBR1, ACVR1, ALK ABL1 440/4885SRC 1538/4885NUDT1 2151/4885

“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.