SCHEMBL2689331

SCHEMBL2689331

Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(C=O)c1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.59

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
SCHEMBL13643827 0.86 CYP2C9 (0.63) CYP2C9
SCHEMBL3955995 0.85 CYP2C9 (0.60) CYP2C9
SCHEMBL4903090 0.85 CYP2C9 (0.62) CYP2C9
SCHEMBL1014694 0.84 CYP2C9 (0.61) CYP2C9
SCHEMBL404183 0.84 CYP2C9 (0.61) CYP2C9
SCHEMBL13122948 0.84 CYP2C9 (0.61) CYP2C9
SCHEMBL403543 0.83 CYP2C9 (0.58) CYP2C9
SCHEMBL3441225 0.82 CYP2C9 (0.59) CYP2C9
SCHEMBL2689198 0.82 CYP2C9 (0.59) CYP2C9
SCHEMBL2691610 0.82 CYP2C9 (0.59) CYP2C9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815895-B2 Mediators of hedgehog signaling pathways, compositions and uses related hereto CURIS, INC. (US) 2014-08-26 US disclosed
US-8815895-B2 Mediators of hedgehog signaling pathways, compositions and uses related hereto CURIS, INC. (US) 2014-08-26 US disclosed
US-8815895-B2 Mediators of hedgehog signaling pathways, compositions and uses related hereto CURIS, INC. (US) 2014-08-26 US disclosed
EP-1807074-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2013-10-23 EP disclosed
EP-1807074-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2013-10-23 EP disclosed
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO CURIS, INC. (US) 2012-11-08 US disclosed
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO CURIS, INC. (US) 2012-11-08 US disclosed
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO CURIS, INC. (US) 2012-11-08 US disclosed
US-8168653-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2012-05-01 US disclosed
US-8168653-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2012-05-01 US disclosed
US-20100317660-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto GUICHERIT OIVIN M 2010-12-16 US disclosed
US-20100317660-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto GUICHERIT OIVIN M 2010-12-16 US disclosed
US-7816369-B2 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2010-10-19 US disclosed
US-7816369-B2 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2010-10-19 US disclosed
US-7816369-B2 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2010-10-19 US disclosed
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2009-01-08 US disclosed
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2009-01-08 US disclosed
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2009-01-08 US disclosed
EP-1807074-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO Curis, Inc. (US) 2007-07-18 EP disclosed
WO-2006050506-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS, INC. (US) 2006-05-11 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 (3 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-20100317660-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 CYP2C9 4884/4885
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents GLI1, SHH, SMO CYP2C9 4869/4885
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO SHH, SMO, GLI1 CYP2C9 4883/4885

“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.