SCHEMBL94723

SCHEMBL94723

CCOC(=O)c1[nH]c(C=O)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL26689958 0.84 ALOX15 (0.48) ALDH1A1POLBKMT2AALOX15SMN1; SMN2
SCHEMBL3596352 0.81 MAPT (0.45) ALDH1A1POLBKMT2ASMN1; SMN2CYP3A4
SCHEMBL3596350 0.81 MAPT (0.45) ALDH1A1POLBKMT2ASMN1; SMN2CYP3A4
SCHEMBL257250 0.79 ALDH1A1 (0.62) ALDH1A1POLBKMT2AALOX15SMN1; SMN2
SCHEMBL11191069 0.77 CYP1A2 (0.55) ALDH1A1KMT2AALOX15SMN1; SMN2HPGD
SCHEMBL4470824 0.77 HCAR2 (0.41) ALDH1A1POLBKMT2ASMN1; SMN2USP2
SCHEMBL2913063 0.77 ALDH1A1 (0.61) ALDH1A1POLBKMT2AALOX15SMN1; SMN2
SCHEMBL6218114 0.76 CYP2C9 (0.47) ALDH1A1POLBKMT2ASMN1; SMN2CYP3A4
SCHEMBL6218116 0.76 CYP2C9 (0.47) ALDH1A1POLBKMT2ASMN1; SMN2CYP3A4
SCHEMBL24392298 0.76 CYP1A2 (0.49) ALDH1A1KMT2AALOX15SMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003035614-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO claimed
EP-2848620-B1 QUINOXALINE DERIVATIVES ASKA PHARM CO LTD (JP) 2016-09-28 EP disclosed
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
EP-2848620-A1 Quinoxaline derivatives ASKA Pharmaceutical Co., Ltd. (JP) 2015-03-18 EP disclosed
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR ASKA PHARM CO LTD (JP) 2014-11-13 US disclosed
US-8829000-B2 Substituted imidazo[1,5-A]quinoxalines as phosphodiesterase 9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor OKADA MAKOTO (JP) 2013-08-29 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
EP-2103613-A1 QUINOXALINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-09-23 EP disclosed
EP-1244672-B1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2005-07-20 EP disclosed
US-6908930-B2 4-substituted 7-AZA-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. (US) 2005-06-21 US disclosed
US-20040053924-A1 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. 2004-03-18 US disclosed
US-6610688-B2 For therapy of blood vessel proliferative disorders; fibrotic disorders; mesangial cell proliferative disorders; metabolic disorders; allergies; asthma; thrombosis; nervous system diseases; and cancer SUGEN, INC. 2003-08-26 US disclosed
WO-2003035614-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed
US-20020183319-A1 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. 2002-12-05 US disclosed
EP-1244672-A1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-10-02 EP disclosed
WO-2001046196-A1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-06-28 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-20040053924-A1 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors CDKN1A, CSNK1A1, CDK2 ALDH1A1 3371/4885POLB 3650/4885KMT2A 685/4885
US-20020183319-A1 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors CDKN1A, CDK7, CDK2 ALDH1A1 3066/4885POLB 3163/4885KMT2A 955/4885
US-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor PDE9A, ADCY9, PDE3A ALDH1A1 858/4885POLB 2322/4885KMT2A 1460/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 ALDH1A1 1387/4885POLB 2232/4885KMT2A 1913/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A ALDH1A1 858/4885POLB 2322/4885KMT2A 1460/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 ALDH1A1 484/4885POLB 999/4885KMT2A 2332/4885

“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.