SCHEMBL1012972

SCHEMBL1012972

CC(C)(C)c1ccc(-c2cc(Nc3ccc4ncsc4c3)nnc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.45
INSR P06213 2/20 0.45
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
TEK Q02763 2/20 0.45
CSF1R P07333 1/20 0.45
IKBKB O14920 2/20 0.41
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
RIPK2 O43353 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
IRAK4 Q9NWZ3 7/20 0.39
MAP4K1 Q92918 1/20 0.39
TGFBR1 P36897 1/20 0.38
SYK P43405 1/20 0.38
JAK3 P52333 2/20 0.38
PRKD1 Q15139 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL1016745 0.90 MEN1 (0.45) KDRINSRPDGFRBPDGFRATEK
SCHEMBL1013633 0.85 MEN1 (0.48) KDRINSRPDGFRBPDGFRATEK
SCHEMBL1011971 0.82 MEN1 (0.45) IKBKBNTRK1NTRK2RIPK2IRAK4
SCHEMBL1070240 0.82 NPC1 (0.45) KDRINSRPDGFRBPDGFRATEK
SCHEMBL1012914 0.81 MEN1 (0.42) KDRINSRPDGFRBPDGFRATEK
SCHEMBL1013689 0.80 NPC1 (0.42) KDRIKBKBNTRK1NTRK2IRAK4
SCHEMBL6533916 0.78 KDR (0.41) KDRINSRPDGFRBPDGFRATEK
SCHEMBL1013821 0.76 TRPV1 (0.57)
SCHEMBL13675607 0.76 PLK1 (0.46) KDRINSRPDGFRBPDGFRATEK
SCHEMBL1012755 0.75 NPC1 (0.40) KDRTGFBR1PRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP claimed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US claimed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 WO claimed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 US disclosed
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 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-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KDR 71/4885INSR 820/4885PDGFRB 331/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KDR 51/4885INSR 730/4885PDGFRB 274/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KDR 51/4885INSR 730/4885PDGFRB 274/4885

“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.