SCHEMBL1484129

SCHEMBL1484129

CCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
ALDH1A1 P00352 4/20 0.66
HSD17B10 Q99714 1/20 0.66
PDE10A Q9Y233 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
HKDC1 Q2TB90 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KCNH2 Q12809 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
BLM P54132 1/20 0.56

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
SCHEMBL8242227 0.90 NPC1 (0.70) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4467032 0.87 MAPK1 (0.76) MEN1KMT2AALDH1A1PDE10AL3MBTL1
SCHEMBL4958462 0.87 LMNA (0.80) MEN1KMT2AALDH1A1HSD17B10PDE10A
SCHEMBL1484185 0.86 ALDH1A1 (0.66) MEN1KMT2AALDH1A1HSD17B10PDE10A
SCHEMBL4957618 0.86 MAPK1 (0.60) MEN1KMT2AALDH1A1PDE10AL3MBTL1
SCHEMBL22238128 0.85 USP2 (0.59) ALDH1A1HSD17B10PDE10AL3MBTL1SMN1; SMN2
SCHEMBL16854205 0.85 HDAC1 (0.55) MEN1KMT2AALDH1A1HSD17B10PDE10A
SCHEMBL12605331 0.83 ESR1 (0.60) MEN1KMT2AALDH1A1HSD17B10PDE10A
SCHEMBL4960948 0.83 MAPK1 (0.62) MEN1KMT2AALDH1A1PDE10AL3MBTL1
SCHEMBL18239974 0.81 PDE7A (0.85) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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-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
EP-1743891-A1 Heterocyclic compounds and methods for modulating CXCR3 function ChemoCentryx Inc (US) 2007-01-17 EP disclosed
US-20060063763-A1 Compounds and methods for modulating CXCR3 function CHEMOCENTRYX, INC. 2006-03-23 US disclosed
US-6992084-B2 Compounds and methods for modulating CXCR3 function CHEMOCENTRYX, INC. (US) 2006-01-31 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
US-20030119854-A1 Compounds and methods for modulating CXCR3 function CHEMOCENTRYX, INC. (US) 2003-06-26 US disclosed
US-6559160-B1 These compounds and compositions bind to the CXCR3 chemokine receptor and are useful for treating diseases and conditions responsive to the modulation of CXCR3 activity, such as multiple sclerosis, rheumatoid arthritis, psoriasis, cancer, CHEMOCENTRYX, INC. 2003-05-06 US 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 (5 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 MEN1 1518/4885KMT2A 2765/4885ALDH1A1 4299/4885
US-20050080138-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 MEN1 1518/4885KMT2A 2765/4885ALDH1A1 4299/4885
US-20060063763-A1 Compounds and methods for modulating CXCR3 function CXCR3, CXCL10, CCR5 MEN1 4442/4885KMT2A 4082/4885ALDH1A1 4110/4885
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 MEN1 1518/4885KMT2A 2765/4885ALDH1A1 4299/4885
US-20030119854-A1 Compounds and methods for modulating CXCR3 function CXCR3, CXCL10, CCR5 MEN1 4442/4885KMT2A 4082/4885ALDH1A1 4110/4885

“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.