SCHEMBL1484492

SCHEMBL1484492

CNC(C)c1nc2ncccc2c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.45
IDO1 P14902 1/20 0.45
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
PIK3CD O00329 4/20 0.41
PIK3CG P48736 4/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
PIK3R2 O00459 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIK3CB P42338 3/20 0.40
PIK3CA P42336 2/20 0.39
HPGD P15428 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL1483943 0.85 IDO1 (0.46) CXCR3IDO1EP300CREBBPKAT2A
SCHEMBL450061 0.83 CXCR3 (0.54) CXCR3PIK3CDPIK3CGPIK3C3ALDH1A1
SCHEMBL1484471 0.75 SMN1; SMN2 (0.54) IDO1EP300CREBBPKAT2AKAT2B
SCHEMBL4761777 0.75 PIK3CD (0.45) CXCR3IDO1PIK3CDPIK3CGPIK3R2
SCHEMBL12857885 0.74 IDO1 (0.47) CXCR3IDO1EP300CREBBPKAT2A
SCHEMBL12857980 0.73 IDO1 (0.46) CXCR3IDO1EP300CREBBPKAT2A
SCHEMBL12857737 0.73 IDO1 (0.46) CXCR3IDO1EP300CREBBPKAT2A
SCHEMBL451131 0.73 NPC1 (0.52) CXCR3PIK3CDPIK3CGPIK3R2ALDH1A1
SCHEMBL1483901 0.73 IDH1 (0.36) PIK3CDPIK3CGPIK3R2ALDH1A1PIK3CB
SCHEMBL25413160 0.72 CXCR3 (0.55) CXCR3ALDH1A1

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
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-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
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20050080138-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2005-04-14 US 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
US-6545005-B1 Quinazolone derivatives CURTIS, INC. 2003-04-08 US 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-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 CXCR3 1281/4885IDO1 4229/4885EP300 3145/4885
US-20050080138-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 CXCR3 1281/4885IDO1 4229/4885EP300 3145/4885
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 CXCR3 1281/4885IDO1 4229/4885EP300 3145/4885

“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.