SCHEMBL1922009

SCHEMBL1922009

O=C(O)C1Cc2c([nH]c3ccccc23)C(C(=O)CCl)(c2ccc3c(c2)OCO3)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 4/20 0.44
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 2/20 0.39
OPRM1 P35372 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
PDE5A O76074 3/20 0.38
SCN9A Q15858 1/20 0.38
CHRM4 P08173 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL1921582 0.86 KDM4E (0.53) KDM4EALOX15HSD17B10KMT2AHDAC1
SCHEMBL1922005 0.86 KDM4E (0.48) KDM4EALOX15HSD17B10KMT2AMEN1
SCHEMBL1923630 0.83 KDM4E (0.48) KDM4EALOX15HSD17B10KMT2AMEN1
SCHEMBL7687272 0.82 KDM4E (0.61) KDM4EALOX15HSD17B10KMT2AHDAC1
SCHEMBL7712450 0.82 KDM4E (0.61) KDM4EALOX15HSD17B10KMT2AHDAC1
SCHEMBL7706563 0.82 KDM4E (0.61) KDM4EALOX15HSD17B10KMT2AHDAC1
SCHEMBL1922261 0.82 KDM4E (0.61) KDM4EALOX15HSD17B10KMT2AHDAC1
SCHEMBL1420044 0.82 KDM4E (0.61) KDM4EALOX15HSD17B10KMT2AHDAC1
Hydrochloric Acid SCHEMBL1894628 0.81 KDM4E (0.60) KDM4EALOX15HSD17B10KMT2AHDAC1
Hydrochloric Acid SCHEMBL1784781 0.81 KDM4E (0.60) KDM4EALOX15HSD17B10KMT2AHDAC1

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
WO-2005116030-A1 A PROCESS FOR THE PREPARATION OF TADALAFIL MATRIX LABORATORIES LTD (IN) 2005-12-08 WO 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
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 1370/4885ALOX15 710/4885HSD17B10 2515/4885

“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.