SCHEMBL1921741

SCHEMBL1921741

CCOC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(C#N)cc2)N1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
CCKBR P32239 2/20 0.64
CYP2D6 P10635 3/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 2/20 0.55
PDE5A O76074 3/20 0.55
HSD17B10 Q99714 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 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
SCHEMBL1921589 0.89 CCKBR (0.80) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921626 0.85 KDM4E (0.66) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921543 0.83 KDM4E (0.64) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921371 0.83 KDM4E (0.63) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL28127168 0.82 ALDH1A1 (0.77) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921587 0.81 KDM4E (0.66) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921530 0.80 KDM4E (0.65) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL15384065 0.80 KDM4E (0.74) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL21309816 0.80 CCKBR (0.76) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921864 0.80 CCKBR (0.76) KDM4EALDH1A1CCKBRCYP2D6MAPK1

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-2327408-A1 Tetracyclic cyclic gmp-specific phosphodiesterase inhibitors for the treatment of benign prostatic hypertrophy ICOS Corporation (US) 2011-06-01 EP disclosed
EP-2036560-A1 (6R,12aR)-2,3,6,7,12,12a-hexahydro-2-methyl-6-(3,4-methylenedioxyphenyl)-pyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione for the treatment of benign prostatic hypertrophy ICOS Corporation (US) 2009-03-18 EP disclosed
US-6369059-B1 INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP SPECIFIC PDE); CARDIOVASCULAR DISORDERS; PYRAZINO(2',1':6,1)PYRIDO(3,4-B)INDOLE-1,4-DIONES ICOS CORPORATION 2002-04-09 US disclosed
EP-0859778-B1 TETRAHYDROIMIDAZOPYRIDOINDOLEDIONES AS INHIBITORS OF cGMP SPECIFIC PDE ICOS CORP (US) 2001-12-19 EP disclosed
US-6218400-B1 TREATING ANGINA, HYPERTENSION, PULMONARY DISEASE, VASCULAR DISORDERS, STROKE, BRONCHITIS, ASTHMA, RHINITIS, GLAUCOMA, SEXUAL DISORDERS, AND DISORDERS OF GUT MOTILITY ICOS CORPORATION 2001-04-17 US disclosed
US-6143746-A Combination of tadalafil and another drug for cGMP-specific PDE inhibition; erectile dysfunction, cardiovascular disorders ICOS CORPORATION (US) 2000-11-07 US disclosed
US-6143757-A DRUGS FOR CARDIOVASCULAR OR SEXUAL DISORDERS ICOS CORPORATION (US) 2000-11-07 US disclosed
US-6127542-A CHEMICAL INTERMEDIATES TO SPECIFIED PYRAZINO(2',1':6,1)PYRIDO(3,4B)INDOLE-1,4-DIONES WHICH ARE SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE; TO TREAT CARDIOVASCULAR DISORDERS ICOS CORPORATION (US) 2000-10-03 US disclosed
US-6025494-A CYCLIZATION OF DICARBONYL-SUBSTITUTED PYRIDOINDOLES YIELDS PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-02-15 US disclosed
US-6001847-A 5,6,11,11A-TETRAHYDRO-1H-IMIDAZO(1'5':1,6)PYRIDO(3,4-B)INDOLE -1,3(2H)-DIONE DERIVATIVES; INHIBITORS OF CGMP SPECIFIC PHOSPHODIESTERASE; CARDIOVASCULAR DISORDERS; ERECTILE DYSFUNCTION ICOS CORPORATION (US) 1999-12-14 US disclosed