SCHEMBL4893009

SCHEMBL4893009

CCOC(=O)c1c(-c2ccccc2)c2cc(N)ccc2n1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.51
KMT2A Q03164 1/20 0.51
MAPK8 P45983 6/20 0.50
SERPINE1 P05121 3/20 0.50
MDM2 Q00987 2/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MDM4 O15151 1/20 0.45
PTGES2 Q9H7Z7 2/20 0.44
PTGES O14684 1/20 0.44

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
SCHEMBL4886339 0.96 PLA2G2A (0.55) PLA2G2AKMT2AMAPK8SERPINE1MDM2
SCHEMBL4887373 0.89 SERPINE1 (0.55) PLA2G2AKMT2AMAPK8SERPINE1KDM4E
SCHEMBL5415705 0.88 MAPK8 (0.52) KMT2AMAPK8MDM2KDM4EMAPT
SCHEMBL4893850 0.84 PLA2G2A (0.46) PLA2G2AKMT2AMDM2KDM4EMAPT
SCHEMBL4884093 0.84 AR (0.58) PLA2G2AKMT2ASERPINE1MAPTLMNA
SCHEMBL4893855 0.83 HRH3 (0.48) PLA2G2AKMT2AMDM2KDM4EMAPT
SCHEMBL5173704 0.80 KMT2A (0.50) KMT2AMAPK8SERPINE1MDM2KDM4E
SCHEMBL5172795 0.80 KMT2A (0.50) KMT2AMAPK8SERPINE1MDM2KDM4E
SCHEMBL4893680 0.80 AR (0.60) PLA2G2AKMT2AKDM4EMAPTPKM
SCHEMBL6858375 0.79 KMT2A (0.47) PLA2G2AKMT2AMAPK8SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES WYETH (US) 2008-12-25 US disclosed
US-7442805-B2 Substituted sulfonamide-indoles WYETH (US) 2008-10-28 US disclosed
US-7332521-B2 Substituted indoles WYETH (US) 2008-02-19 US disclosed
US-20070299126-A1 Substituted pyrrole-indoles WYETH (US) 2007-12-27 US disclosed
US-7265148-B2 Substituted pyrrole-indoles WYETH (US) 2007-09-04 US disclosed
EP-1682530-B1 PYRROLE SUBSTITUTED INDOLES AS INHIBITORS OF PAI-1 WYETH CORP (US) 2007-05-09 EP disclosed
EP-1682530-A1 SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 Wyeth (US) 2006-07-26 EP disclosed
EP-1667970-A1 HETEROCYCLIC- OR ARYLOXY, -THIO 0R -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP disclosed
EP-1667969-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP disclosed
US-20050119327-A1 Substituted indoles WYETH (US) 2005-06-02 US disclosed
US-20050113439-A1 Substituted pyrrole-indoles WYETH (US) 2005-05-26 US disclosed
US-20050096377-A1 Substituted sulfonamide-indoles WYETH (US) 2005-05-05 US disclosed
WO-2005030756-A1 SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 WYETH (US) 2005-04-07 WO disclosed
WO-2005030716-A1 HETEROCYCLIC- OR ARYLOXY, -THIO OR -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1 WYETH (US) 2005-04-07 WO disclosed
WO-2005030715-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS WYETH (US) 2005-04-07 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 (5 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-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES STS, TPST2, IDO2 PLA2G2A 3606/4885KMT2A 172/4885MAPK8 3192/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 PLA2G2A 3606/4885KMT2A 172/4885MAPK8 3192/4885
US-20050113439-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 PLA2G2A 3107/4885KMT2A 1959/4885MAPK8 4106/4885
US-20070299126-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 PLA2G2A 3107/4885KMT2A 1959/4885MAPK8 4106/4885
US-20050119327-A1 Substituted indoles IDO2, IDO1, TPH2 PLA2G2A 3041/4885KMT2A 746/4885MAPK8 3910/4885

“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.