SCHEMBL947308

SCHEMBL947308

Cc1nc2ccccn2c1-c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.55
▸ CDK4 P11802 3/20 0.55
▸ ALDH1A1 P00352 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ GAA P10253 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ NCOA1 Q15788 1/20 0.52
▸ NCOA3 Q9Y6Q9 1/20 0.52
▸ CCNE1 P24864 2/20 0.49
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 1/20 0.48
▸ NCSTN Q92542 1/20 0.48
▸ APH1A Q96BI3 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.46

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
SCHEMBL9611707 0.88 ALDH1A1 (0.56) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL14682567 0.85 ALDH1A1 (0.54) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL8311759 0.82 ALDH1A1 (0.51) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL11028623 0.80 USP7 (0.69) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL4863474 0.80 CDK4 (0.43) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL5765187 0.80 USP7 (0.46) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL7965088 0.79 CDK2 (0.54) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL23509777 0.77 USP7 (0.50) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL22627455 0.77 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3081742 0.76 USP7 (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 — — US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 — — US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 — — 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 CDK2 477/4885CDK4 896/4885ALDH1A1 2246/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CDK2 337/4885CDK4 863/4885ALDH1A1 2316/4885

“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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