SCHEMBL1043386

SCHEMBL1043386

COc1cc(-c2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASR P41180 1/20 0.41
TRPA1 O75762 1/20 0.40
FYN P06241 2/20 0.39
PTPN11 Q06124 1/20 0.39
PDE4B Q07343 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MAOA P21397 2/20 0.38
CYP11B2 P19099 1/20 0.38
DYRK3 O43781 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
DYRK1A Q13627 2/20 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
SCHEMBL1043378 0.87 KDR (0.42) RAB9ASMN1; SMN2NPSR1KDM4ENPC1
SCHEMBL1041711 0.82 CSNK1D (0.48) RAB9ASMN1; SMN2NPSR1KDM4ENPC1
SCHEMBL1039806 0.81 NT5E (0.41) RAB9ASMN1; SMN2NPSR1KDM4ENPC1
SCHEMBL1041869 0.81 PTPN1 (0.42) KDM4ETRPA1CYP11B2BACE1MAOB
SCHEMBL1042917 0.76 TRPV1 (0.56) PDE4B
SCHEMBL1043167 0.74 KDM4E (0.44) RAB9ASMN1; SMN2NPSR1KDM4ENPC1
SCHEMBL28128350 0.71 PTPN1 (0.62) CYP11B2MAOBPTPN1
SCHEMBL12957326 0.68 MAOB (0.43) KDM4EHPGDBACE1MAOBPTPN1
SCHEMBL13575381 0.68 HSD17B1 (0.67) RAB9ASMN1; SMN2NPC1FYNPDGFRB
SCHEMBL30672998 0.67 KDM4E (0.42) RAB9ASMN1; SMN2NPSR1KDM4ENPC1

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 RAB9A 1396/4885SMN1; SMN2 2664/4885NPSR1 315/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 RAB9A 1396/4885SMN1; SMN2 2664/4885NPSR1 315/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 RAB9A 1553/4885SMN1; SMN2 2416/4885NPSR1 338/4885

“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.