SCHEMBL3249974

SCHEMBL3249974

O=C1Cc2cc(S(=O)(=O)Cc3ccccc3)ccc2N1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.54
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.47
PKM P14618 2/20 0.46
AHR P35869 2/20 0.46
PDK2 Q15119 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
IDO1 P14902 1/20 0.46
HTR6 P50406 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GLO1 Q04760 1/20 0.44
CDC7 O00311 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
DBF4 Q9UBU7 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
SCHEMBL3135008 0.86 MAOB (0.60) GAAPKMAHRSMYD3IDO1
SCHEMBL7125782 0.86 PKM (0.48) GAALMNAPKMSMYD3IDO1
SCHEMBL7118562 0.86 GAA (0.47) GAAPKMAHRSMYD3IDO1
SCHEMBL7123306 0.86 GAA (0.58) GAAPKMSMYD3IDO1KMT2A
SCHEMBL7118444 0.86 GAA (0.56) GAAPKMAHRSMYD3IDO1
SCHEMBL7115706 0.86 IDO1 (0.50) GAALMNAPKMAHRSMYD3
SCHEMBL7125442 0.84 AHR (0.54) GAAPKMAHRSMYD3IDO1
SCHEMBL7114642 0.84 GAA (0.50) GAAPKMAHRSMYD3IDO1
SCHEMBL7128664 0.83 GAA (0.58) GAAPKMSMYD3IDO1MAOB
SCHEMBL7116155 0.83 GAA (0.58) GAAALDH1A1PKMAHRSMYD3

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
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed
US-20050032871-A1 Sulfonylated pyrrole-2-indolinone derivatives as kinase inhibitors SUGEN, INC. 2005-02-10 US disclosed
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 US disclosed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 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 (4 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-20050032871-A1 Sulfonylated pyrrole-2-indolinone derivatives as kinase inhibitors MAP3K20, CDK20, STK10 GAA 1297/4885ALDH1A1 1803/4885LMNA 2826/4885
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 GAA 2267/4885ALDH1A1 2773/4885LMNA 2232/4885
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 GAA 3035/4885ALDH1A1 3830/4885LMNA 3096/4885
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 GAA 3834/4885ALDH1A1 3282/4885LMNA 4797/4885

“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.