SCHEMBL1040447

SCHEMBL1040447

Nc1nnc(Cl)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
KIF11 P52732 4/20 0.44
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CASP1 P29466 1/20 0.41
DPP4 P27487 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
JAK2 O60674 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
KCNH2 Q12809 3/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1013642 0.83 CASP1 (0.47) KIF11MKNK1MKNK2CASP1S1PR1
SCHEMBL1039216 0.81 MAOB (0.43) KIF11MKNK1MKNK2CASP1NPC1
SCHEMBL25348245 0.80 SMARCA2 (0.46) MAP4K4SMARCA2SMARCA4PBRM1NPC1
SCHEMBL31218502 0.77 USP7 (0.58) MAP4K4SMARCA2SMARCA4PBRM1NPC1
SCHEMBL25346565 0.77 USP7 (0.58) MAP4K4SMARCA2SMARCA4PBRM1NPC1
SCHEMBL531767 0.77 SMARCA2 (0.66) MAP4K4SMARCA2SMARCA4PBRM1KDM4E
SCHEMBL1040032 0.76 SRC (0.45) KIF11MKNK1MKNK2CASP1NPC1
SCHEMBL30042717 0.76 KIF11 (0.50) KIF11MKNK1MKNK2DPP4TOP1
SCHEMBL1041929 0.76 KIF11 (0.50) KIF11MKNK1MKNK2DPP4TOP1
SCHEMBL23303040 0.73 SMARCA2 (0.40) MAP4K4SMARCA2SMARCA4PBRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 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-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MAP4K4 601/4885KIF11 2278/4885MKNK1 1672/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MAP4K4 601/4885KIF11 2278/4885MKNK1 1672/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MAP4K4 555/4885KIF11 2444/4885MKNK1 1509/4885

“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.