SCHEMBL18332092

SCHEMBL18332092

COc1cc2[nH]c(C(=O)CC#N)cc2cc1NS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.38
▸ SRD5A1 P18405 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ PLA2G7 Q13093 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL21572129 0.95 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MMP2
SCHEMBL21572165 0.85 MMP2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MMP2
SCHEMBL10003921 0.84 RXFP1 (0.50) MEN1KMT2ARXFP1SRD5A1SRD5A2
SCHEMBL18332403 0.84 MMP2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MMP2
SCHEMBL18332097 0.83 MMP2 (0.38) MMP2MMP13PLA2G7
SCHEMBL21572256 0.81 KMT2A (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MMP2
SCHEMBL18332088 0.81 MMP13 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2MMP2
SCHEMBL10004771 0.80 IDH1 (0.46) MEN1KMT2ARXFP1SRD5A1SRD5A2
SCHEMBL16402131 0.78 SRD5A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2MMP2
SCHEMBL18331896 0.77 GRIN2D (0.42) MEN1KMT2AALDH1A1RXFP1SRD5A1

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 8 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
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-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
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 MEN1 3006/4885KMT2A 1100/4885ALDH1A1 1534/4885
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES SRC, GRK2, GRK3 MEN1 3006/4885KMT2A 1100/4885ALDH1A1 1534/4885

“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.

Send feedback