SCHEMBL14301776

SCHEMBL14301776

Bc1cnn2c(NCc3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.51
▸ GSK3B P49841 5/20 0.51
▸ EPHB4 P54760 1/20 0.42
▸ AURKA O14965 2/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ RET P07949 3/20 0.40
▸ KDR P35968 3/20 0.40
▸ AURKB Q96GD4 1/20 0.39
▸ CNR1 P21554 3/20 0.39

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
SCHEMBL12954120 0.94 CDK2 (0.49) CDK2GSK3BEPHB4AURKARPS6KB1
SCHEMBL13289245 0.94 CDK2 (0.49) CDK2GSK3BEPHB4AURKARET
SCHEMBL12954468 0.93 CDK2 (0.51) CDK2GSK3BEPHB4AURKARPS6KB1
SCHEMBL13289698 0.93 CDK2 (0.56) CDK2GSK3BEPHB4CNR1
SCHEMBL14301775 0.93 CDK2 (0.49) CDK2GSK3BAURKARETKDR
SCHEMBL13289340 0.92 CDK2 (0.48) CDK2GSK3BRETKDR
SCHEMBL13305356 0.92 CDK2 (0.51) CDK2GSK3B
SCHEMBL13289326 0.91 CDK2 (0.47) CDK2GSK3BEPHB4AURKARPS6KB1
SCHEMBL13289534 0.91 RET (0.48) CDK2GSK3BRETKDR
SCHEMBL13289563 0.91 CDK2 (0.50) CDK2GSK3BEPHB4AURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — US 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 (1 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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885GSK3B 695/4885EPHB4 2963/4885

“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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