SCHEMBL1921371

SCHEMBL1921371

CCOC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(OC(F)(F)F)cc2)N1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
CCKBR P32239 2/20 0.62
CYP2D6 P10635 3/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 2/20 0.53
PDE5A O76074 4/20 0.53
HSD17B10 Q99714 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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 0.87 CCKBR (0.80) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921626 0.83 KDM4E (0.66) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921741 0.83 KDM4E (0.65) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921543 0.82 KDM4E (0.64) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921864 0.81 CCKBR (0.76) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL21309816 0.81 CCKBR (0.76) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL28127168 0.80 ALDH1A1 (0.77) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1921587 0.80 KDM4E (0.66) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL5223424 0.79 PDE5A (0.66) KDM4EALDH1A1CCKBRCYP2D6MAPK1
SCHEMBL1196302 0.79 ALDH1A1 (0.57) 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 8 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
US-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives OSI PHARMACEUTICALS, INC. 2002-03-21 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-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
EP-0740668-B1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE ICOS CORP (US) 1998-07-29 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 (1 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-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives MKI67, PNPO, CDK4 KDM4E 1370/4885ALDH1A1 1323/4885CCKBR 1327/4885

“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.