SCHEMBL4990291

SCHEMBL4990291

CCc1cc(C#N)cc(C(=O)OC)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
ALDH1A1 P00352 8/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 6/20 0.40
RXFP1 Q9HBX9 2/20 0.40
GAA P10253 5/20 0.39
HSD17B10 Q99714 4/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
CFTR P13569 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ABL1 P00519 1/20 0.36
CISD2 Q8N5K1 1/20 0.36
GPR35 Q9HC97 2/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL7821894 0.83 GABRP (0.42) KDM4EALDH1A1MAPTHSD17B10GPR35
SCHEMBL14645844 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL19783127 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL16411023 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL16411014 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL286231 0.78 CYP2A6 (0.43) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL7928482 0.78 HTT (0.46) ALDH1A1POLBMAPTGPR35HTT
SCHEMBL23988970 0.76 KDM4E (0.49) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL1202036 0.75 VCAM1 (0.46) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL3641841 0.75 KDM4E (0.46) KDM4EALDH1A1HPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384958-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7378430-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-05-24 US disclosed
US-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20050113358-A1 Quinoline inhibitors of cGMP phosphodiesterase BI YINGZHI (US) 2005-05-26 US disclosed
US-6835737-B2 For treating conditions such as erectile dysfunction, cardiovascular disorders, male or female sexual dysfunction, diabetes mellitus, and gastrointestinal disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 US disclosed
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase BI YINGZHI (US) 2003-12-04 US disclosed
US-6576644-B2 Treating sexual dysfunction including erectile dysfunction, diabetes melitus, gastrointestinal disorders, including gastric paresis and cardiovascular disorders; cyclic guanosine 3',5'-monophosphate (cGMP) BRISTOL-MYERS SQUIBB CO. 2003-06-10 US disclosed
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2002-11-28 US disclosed
WO-2002020489-A2 QUINOLINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-14 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-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A KDM4E 1553/4885ALDH1A1 525/4885HPGD 79/4885
US-20050113358-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A KDM4E 1553/4885ALDH1A1 525/4885HPGD 79/4885
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A KDM4E 2418/4885ALDH1A1 301/4885HPGD 110/4885
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A KDM4E 1553/4885ALDH1A1 525/4885HPGD 79/4885
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE2A, PDE3A KDM4E 850/4885ALDH1A1 709/4885HPGD 77/4885
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A KDM4E 1553/4885ALDH1A1 525/4885HPGD 79/4885

“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.