SCHEMBL450061

SCHEMBL450061

CNC(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 10/20 0.54
PIK3CD O00329 3/20 0.49
PIK3R1 P27986 1/20 0.49
PDE10A Q9Y233 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
PIK3CG P48736 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47

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
SCHEMBL451131 0.91 NPC1 (0.52) CXCR3PIK3CDPIK3R1ALDH1A1PIK3CG
SCHEMBL450858 0.89 SMN1; SMN2 (0.57) CXCR3PDE10AMEN1ALDH1A1KMT2A
SCHEMBL453737 0.88 SMN1; SMN2 (0.58) PIK3CDPIK3R1PDE10AMEN1ALDH1A1
SCHEMBL447902 0.88 PTGS2 (0.49) PIK3CDMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1553219 0.87 CXCR3 (0.52) CXCR3
SCHEMBL452172 0.85 ALDH1A1 (0.61) CXCR3PDE10AMEN1ALDH1A1KMT2A
SCHEMBL1553362 0.85 KCNH2 (0.44) CXCR3PIK3CDPIK3R1ALDH1A1SMN1; SMN2
SCHEMBL450044 0.85 MEN1 (0.47) CXCR3PIK3CDMEN1ALDH1A1KMT2A
SCHEMBL1484065 0.85 CXCR3 (0.56) CXCR3PDE10AMEN1ALDH1A1KMT2A
SCHEMBL14317533 0.85 CXCR3 (0.56) CXCR3PDE10AMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP claimed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO claimed
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 US disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 US disclosed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
EP-1516876-A1 Mediators of hedgehog signalling pathways, compositions and uses related thereto Curis, Inc. (US) 2005-03-23 EP disclosed
EP-1216234-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2004-12-29 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO disclosed
US-6545005-B1 Quinazolone derivatives CURTIS, INC. 2003-04-08 US disclosed
WO-2001019800-A9 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2002-10-03 WO disclosed
EP-1216234-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO Curis, Inc. (US) 2002-06-26 EP disclosed
WO-2001019800-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS, INC. (US) 2001-03-22 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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885PIK3CD 1577/4885PIK3R1 811/4885
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 CXCR3 1281/4885PIK3CD 310/4885PIK3R1 274/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885PIK3CD 1577/4885PIK3R1 811/4885

“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.