SCHEMBL3587451

SCHEMBL3587451

CCOC(=O)C=Cc1[nH]c(C(=O)OCC)c(C)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 3/20 0.49
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TSHR P16473 2/20 0.42

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
SCHEMBL3587449 1.00 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL27942077 0.80 ALDH1A1 (0.76) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL3145132 0.78 IGF1R (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL3145139 0.78 IGF1R (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL11652356 0.77 CYP1A2 (0.80) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL2565795 0.76 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL14141856 0.74 IGF1R (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL14141857 0.74 IGF1R (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL12529449 0.73 ALDH1A1 (0.69) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL3591855 0.73 KDR (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8299080-B2 Substituted imidazo[1,5-A] quinoxalines as a PDE9 inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
EP-2489667-A1 Quinoxaline derivative ASKA Pharmaceutical Co., Ltd. (JP) 2012-08-22 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor PDE9A, ADCY9, PDE3A CYP1A2 1681/4885CYP2C9 92/4885CYP2C19 249/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 CYP1A2 1842/4885CYP2C9 110/4885CYP2C19 515/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A CYP1A2 1681/4885CYP2C9 92/4885CYP2C19 249/4885

“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.