SCHEMBL10003480

SCHEMBL10003480

COc1ccc2cc(C(=O)CC#N)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.58
PDGFRB P09619 4/20 0.58
PDGFRA P16234 3/20 0.58
KMT2A Q03164 5/20 0.53
MEN1 O00255 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HRH4 Q9H3N8 1/20 0.52
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL11905455 0.89 PDGFRB (0.65) FLT3PDGFRBPDGFRAKMT2AMEN1
SCHEMBL10003275 0.87 FLT3 (0.43) FLT3PDGFRBPDGFRAKMT2AMEN1
SCHEMBL24019644 0.83 FLT3 (0.63) FLT3PDGFRBPDGFRAKMT2AMEN1
SCHEMBL10003921 0.81 RXFP1 (0.50) PDGFRBPDGFRAKMT2AMEN1RXFP1
SCHEMBL10002831 0.80 FLT3 (0.60) FLT3PDGFRBPDGFRAKMT2AMEN1
SCHEMBL10003620 0.78 MMP9 (0.41)
SCHEMBL30189510 0.78 FLT3 (0.68) FLT3PDGFRBPDGFRAKMT2AMEN1
SCHEMBL24113306 0.78 FLT3 (0.68) FLT3PDGFRBPDGFRAKMT2AMEN1
SCHEMBL335655 0.78 FLT3 (0.68) FLT3PDGFRBPDGFRAKMT2AMEN1
SCHEMBL10002715 0.77 IDO1 (0.57) FLT3KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 EP 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 FLT3 46/4885PDGFRB 36/4885PDGFRA 38/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 FLT3 364/4885PDGFRB 3639/4885PDGFRA 3912/4885

“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.