SCHEMBL3327152

SCHEMBL3327152

CS(=O)(=O)Nc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
KLK7 P49862 1/20 0.41
PIK3CA P42336 6/20 0.40
FLT3 P36888 3/20 0.40
KCNH2 Q12809 1/20 0.38
MTOR P42345 2/20 0.36
KIT P10721 1/20 0.36
TGFBR1 P36897 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL3846455 0.89 FLT3 (0.51) PTGS2FLT3KCNH2TGFBR1
SCHEMBL3852254 0.87 TGFBR1 (0.42) PTGS2KLK7PIK3CATGFBR1FYN
SCHEMBL3849014 0.85 AKT1 (0.41) PTGS2PIK3CAFLT3KCNH2MTOR
SCHEMBL3850397 0.84 FLT3 (0.43) FLT3TGFBR1FYN
SCHEMBL3846734 0.84 MKNK1 (0.44) FLT3TGFBR1FYN
SCHEMBL3846108 0.83 FLT3 (0.41) FLT3TGFBR1ALDH1A1CYP1A2CYP3A4
SCHEMBL3845520 0.83 FLT3 (0.41) FLT3KCNH2TGFBR1FYN
SCHEMBL3845550 0.83 FLT3 (0.41) FLT3TGFBR1ALDH1A1FYN
SCHEMBL3849706 0.83 FLT3 (0.46) PIK3CAFLT3MTORALDH1A1FYN
SCHEMBL3846448 0.82 FLT3 (0.44) PIK3CAFLT3TGFBR1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP claimed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US claimed
EP-2114941-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS Astex Therapeutics Limited (GB) 2009-11-11 EP claimed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO claimed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2114941-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS Astex Therapeutics Limited (GB) 2009-11-11 EP disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 PTGS2 1800/4885KLK7 3650/4885PIK3CA 67/4885

“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.