SCHEMBL17672777

SCHEMBL17672777

CCOC(=O)c1cc(C(C)=NNS(=O)(=O)c2ccc(C)cc2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACR P10323 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ XDH P47989 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL19539470 1.00 ACR (0.57) ACRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17672776 1.00 ACR (0.57) ACRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17672383 0.85 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL19513996 0.85 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL28539955 0.83 POLB (0.45) ACRCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL28539953 0.83 POLB (0.45) ACRCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL22454046 0.80 ALDH1A1 (0.48) ACRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23952330 0.80 KMT2A (0.53) ACRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30414174 0.78 KMT2A (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL19539471 0.75 MAPK1 (0.43) ACRALDH1A1KMT2AKDM4EPOLB

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
CN-107912040-B Pyrrolidine amide compounds as histone demethylase inhibitors 基因泰克公司 2021-04-06 — — CN disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 — — US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
EP-3204379-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS Genentech, Inc. (US) 2017-08-16 — — EP disclosed
WO-2016057924-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS GENENTECH, INC. (US) 2016-04-14 — — 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-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B ACR 4572/4885ALDH1A1 1228/4885CYP1A2 2204/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B ACR 4596/4885ALDH1A1 1149/4885CYP1A2 2554/4885

“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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