SCHEMBL4017779

SCHEMBL4017779

Clc1cc(Nc2ccc3ncsc3c2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
IRAK4 Q9NWZ3 11/20 0.48
MKNK1 Q9BUB5 1/20 0.45
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
KDR P35968 1/20 0.44
SYK P43405 1/20 0.43
LRRK2 Q5S007 1/20 0.43
EGFR P00533 1/20 0.42
ERBB3 P21860 1/20 0.42
DOT1L Q8TEK3 1/20 0.40

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
SCHEMBL13035474 0.76 PLK1 (0.52) NPC1IRAK4MEN1RAB9AKMT2A
SCHEMBL20564329 0.75 HTT (0.39) NPC1MEN1RAB9AKMT2A
SCHEMBL1013512 0.74 ABL1 (0.61) NPC1MEN1RAB9AKMT2A
SCHEMBL1013770 0.74 TRPV1 (0.60) IRAK4MEN1KMT2AKDR
SCHEMBL6394544 0.74 KDR (0.67) NPC1MEN1RAB9AKMT2AKDR
SCHEMBL13035473 0.73 SYK (0.64) KDRSYK
SCHEMBL12517587 0.73 TNNI3K (0.73) EGFR
SCHEMBL2283204 0.73 NPC1 (0.68) NPC1MKNK1MEN1KMT2AKDR
SCHEMBL20311432 0.73 SYK (0.49) NPC1IRAK4MEN1RAB9AKMT2A
SCHEMBL6131243 0.72 SYK (0.56) NPC1RAB9AKDRSYKLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227469-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2012-07-24 US disclosed
US-8227469-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2012-07-24 US disclosed
US-8227469-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2012-07-24 US disclosed
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-08-06 US disclosed
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-08-06 US disclosed
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-08-06 US disclosed
US-7534798-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-05-19 US disclosed
US-7534798-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-05-19 US disclosed
US-7534798-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-05-19 US disclosed
EP-1745034-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-01-24 EP disclosed
WO-2005077938-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-18 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 (2 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-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 NPC1 2982/4885IRAK4 1572/4885MKNK1 1629/4885
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NPC1 2982/4885IRAK4 1572/4885MKNK1 1629/4885

“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.