SCHEMBL19047092

SCHEMBL19047092

N#Cc1ccc(N=[N+]=[N-])c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.44
▸ IMPDH2 P12268 2/20 0.43
▸ IMPDH1 P20839 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34

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
SCHEMBL28320699 0.77 LMNA (0.42) KDM4EALDH1A1MAPT
SCHEMBL151936 0.76 IMPDH2 (0.64) ARIMPDH2IMPDH1KDM4EALDH1A1
SCHEMBL29489135 0.76 IMPDH2 (0.64) ARIMPDH2IMPDH1KDM4EALDH1A1
SCHEMBL13667404 0.74 SIGMAR1 (0.35) KDM4EALDH1A1GAAMAPT
SCHEMBL11193357 0.73 IMPDH2 (0.61) ARIMPDH2IMPDH1KDM4EALDH1A1
SCHEMBL27527094 0.73 AR (0.37) AR
SCHEMBL1971208 0.73 IMPDH2 (0.44) ARIMPDH2IMPDH1KDM4EALDH1A1
SCHEMBL3205617 0.73 ALDH1A1 (0.52) ARIMPDH2IMPDH1KDM4EALDH1A1
SCHEMBL17052813 0.72 CYP1A2 (0.52) KDM4EALDH1A1MAPT
SCHEMBL5788213 0.71 IMPDH2 (0.43) ARIMPDH2IMPDH1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109734671-B Benzimidazole derivative, preparation method and application thereof 北京医药集团有限责任公司 2021-03-09 — — CN claimed
CN-109734671-A Benzimidazoles derivative, preparation method and application 北京医药集团有限责任公司 2019-05-10 — — CN claimed
CN-109734671-B Benzimidazole derivative, preparation method and application thereof 北京医药集团有限责任公司 2021-03-09 — — CN disclosed
US-10336710-B2 Benzimidazole derivatives, preparation method therefor, and applications thereof BEIJING PHARMACEUTICAL GROUP CO LTD (CN) 2019-07-02 — — US disclosed
CN-109734671-A Benzimidazoles derivative, preparation method and application 北京医药集团有限责任公司 2019-05-10 — — CN disclosed
CN-105601571-B Benzimidazole derivative, preparation method and application thereof 北京医药集团有限责任公司 2019-03-05 — — CN disclosed
US-20180297959-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF BEIJING PHARMACEUTICAL GROUP CO LTD (CN) 2018-10-18 — — US disclosed
WO-2017107864-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF 北京医药集团有限责任公司 2017-06-29 — — WO disclosed
CN-105601571-A Benzimidazole derivative, preparation method and application thereof CHINA RESOURCES SAIKE PHARMACEUTICAL CO LTD 2016-05-25 — — CN 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-10336710-B2 Benzimidazole derivatives, preparation method therefor, and applications thereof WEE1, CYP51A1, WEE2 AR 3740/4885IMPDH2 163/4885IMPDH1 79/4885
US-20180297959-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF WEE1, CYP51A1, WEE2 AR 3740/4885IMPDH2 163/4885IMPDH1 79/4885

“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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