SCHEMBL18331896

SCHEMBL18331896

COc1cc2cc(C(=O)CC#N)[nH]c2cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.41
▸ SRD5A1 P18405 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ FLT3 P36888 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL10003170 0.85 IDH1 (0.41) RXFP1SRD5A1SRD5A2KMT2AMEN1
SCHEMBL10002996 0.85 IDH1 (0.41) RXFP1SRD5A1SRD5A2KMT2AMEN1
SCHEMBL18332208 0.84 LMNA (0.37) RXFP1SRD5A1SRD5A2LMNAFLT3
SCHEMBL18332153 0.82 SRD5A1 (0.31) SRD5A1SRD5A2
SCHEMBL10004771 0.82 IDH1 (0.46) RXFP1SRD5A1SRD5A2KMT2AMEN1
SCHEMBL18332149 0.81 GPR35 (0.44) FLT3MAPTPDGFRB
SCHEMBL21572129 0.80 MEN1 (0.40) RXFP1SRD5A1SRD5A2KMT2AMEN1
SCHEMBL20084046 0.79 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18332180 0.78 HRH3 (0.49) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 — — EP disclosed
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — US disclosed
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-12-20 — — US disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
WO-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — 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 (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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 GRIN2D 2081/4885GRIN3B 1940/4885GRIN1 750/4885
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES SRC, GRK2, GRK3 GRIN2D 2081/4885GRIN3B 1940/4885GRIN1 750/4885

“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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