SCHEMBL10003170

SCHEMBL10003170

COc1cc2cc(C(=O)CC#N)[nH]c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ SRD5A1 P18405 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ FLT3 P36888 3/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ EIF4A3 P38919 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTR2B P41595 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
SCHEMBL10003921 0.89 RXFP1 (0.50) RXFP1SRD5A1SRD5A2KMT2AMEN1
SCHEMBL10002996 0.85 IDH1 (0.41) IDH1RXFP1SRD5A1SRD5A2KMT2A
SCHEMBL18331896 0.85 GRIN2D (0.42) RXFP1SRD5A1SRD5A2KMT2AMEN1
SCHEMBL10004771 0.82 IDH1 (0.46) IDH1RXFP1SRD5A1SRD5A2KMT2A
SCHEMBL21572129 0.80 MEN1 (0.40) RXFP1SRD5A1SRD5A2KMT2AMEN1
SCHEMBL1144949 0.79 SRD5A2 (0.56) RXFP1SRD5A1SRD5A2KMT2AMEN1
SCHEMBL18332092 0.77 MEN1 (0.40) RXFP1SRD5A1SRD5A2KMT2AMEN1
SCHEMBL10003480 0.76 FLT3 (0.58) RXFP1KMT2AMEN1FLT3PDGFRB
SCHEMBL7086766 0.76 KDM4E (0.60) RXFP1SRD5A1SRD5A2KMT2AMEN1
SCHEMBL11905455 0.76 PDGFRB (0.65) KMT2AMEN1FLT3PDGFRBPDGFRA

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 IDH1 98/4885RXFP1 574/4885SRD5A1 1756/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 IDH1 66/4885RXFP1 2969/4885SRD5A1 409/4885

“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.

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