SCHEMBL17838656

SCHEMBL17838656

O=C(Nc1cc[c]cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.71
PTGS1 P23219 4/20 0.66
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
RORC P51449 1/20 0.64
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
TRPV4 Q9HBA0 1/20 0.55
EPHX2 P34913 1/20 0.55
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
KCNE1 P15382 1/20 0.54
KCNQ1 P51787 1/20 0.54

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
SCHEMBL7513604 0.87 TRPV1 (0.83) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL6156938 0.87 HDAC3 (0.66) TRPV1PTGS1NPC1RAB9ALMNA
SCHEMBL3711352 0.84 HDAC3 (0.70) TRPV1NPC1RAB9AMAPTMEN1
SCHEMBL4188342 0.83 NPC1 (0.52) NPC1RAB9AMAPTMEN1LMNA
SCHEMBL27759009 0.83 LMNA (0.76) TRPV1PTGS1NPC1RAB9AMAPT
SCHEMBL4247052 0.82 NPC1 (0.86) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL2104851 0.82 PTPN1 (0.68) NPC1RAB9AMEN1KMT2A
SCHEMBL26985985 0.81 MAPT (0.58) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL674439 0.81 HDAC6 (0.82) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL2064051 0.81 TRPV1 (0.73) TRPV1PTGS1NPC1RAB9ARORC

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
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 EP claimed
US-9730914-B2 3,5-diaminopyrazole kinase inhibitors Axikin Pharmaceuticals (US) 2017-08-15 US claimed
US-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-30 US claimed
WO-2016106309-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-30 WO claimed
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2016-06-23 US claimed
EP-3237407-B1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS SMA THERAPEUTICS INC (US) 2020-04-15 EP disclosed
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
US-9730914-B2 3,5-diaminopyrazole kinase inhibitors Axikin Pharmaceuticals (US) 2017-08-15 US disclosed
US-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-30 US disclosed
US-9546163-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
WO-2016106309-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-30 WO disclosed
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2016-06-23 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-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 TRPV1 4222/4885PTGS1 774/4885NPC1 2748/4885
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 TRPV1 4222/4885PTGS1 774/4885NPC1 2748/4885

“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.