SCHEMBL1922005

SCHEMBL1922005

O=C(O)C1Cc2c([nH]c3ccccc23)C(C(=O)CCl)(c2ccc3c(c2)OOC3)N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
KMT2A Q03164 7/20 0.42
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 5/20 0.37
OPRM1 P35372 3/20 0.36
OGFRL1 Q5TC84 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
CYP2D6 P10635 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL1922009 0.86 KDM4E (0.52) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL1923630 0.80 KDM4E (0.48) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL1921582 0.73 KDM4E (0.53) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL1923001 0.70 KDM4E (0.70) KDM4EKMT2AALOX15HSD17B10MEN1
Hydrochloric Acid SCHEMBL3838328 0.69 KDM4E (0.69) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL7706563 0.68 KDM4E (0.61) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL1420044 0.68 KDM4E (0.61) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL7687272 0.68 KDM4E (0.61) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL1922261 0.68 KDM4E (0.61) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL7712450 0.68 KDM4E (0.61) KDM4EKMT2AALOX15HSD17B10MEN1

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 9 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
EP-0828479-B1 METHOD OF PRODUCING A SOLID DISPERSION OF A POORLY WATER SOLUBLE DRUG ICOS CORP (US) 2001-10-24 EP 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-6025494-A CYCLIZATION OF DICARBONYL-SUBSTITUTED PYRIDOINDOLES YIELDS PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-02-15 US disclosed
US-5985326-A MIXING WITH SOLVENT; COPRECIPITATION; 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 ICOS CORPORATION (US) 1999-11-16 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 1370/4885KMT2A 1547/4885ALOX15 710/4885

“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.