SCHEMBL12263225

SCHEMBL12263225

CCn1cc(-c2ccnc(Nc3cccc(N=O)c3)n2)c2cccnc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.60
▸ DYRK1A Q13627 2/20 0.54
▸ FLT3 P36888 3/20 0.53
▸ CCNE1 P24864 2/20 0.53
▸ CDK2 P24941 2/20 0.53
▸ CDK1 P06493 7/20 0.46
▸ CCNB1 P14635 7/20 0.46
▸ CCNB2 O95067 5/20 0.46
▸ CCNB3 Q8WWL7 5/20 0.46
▸ RET P07949 2/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.44
▸ CDK7 P50613 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ MNAT1 P51948 1/20 0.42
▸ CCND1 P24385 2/20 0.42
▸ CDK6 Q00534 2/20 0.42
▸ EGFR P00533 2/20 0.42
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41

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
SCHEMBL12263516 0.93 GSK3B (0.63) GSK3BDYRK1AFLT3CCNE1CDK2
SCHEMBL2536027 0.86 GSK3B (0.61) GSK3BDYRK1AFLT3CCNE1CDK2
SCHEMBL2543297 0.84 ABL1 (0.57) GSK3BDYRK1AFLT3CCNE1CDK2
SCHEMBL2545044 0.84 CDK1 (0.60) GSK3BDYRK1AFLT3CCNE1CDK2
SCHEMBL2538373 0.84 GSK3B (0.57) GSK3BDYRK1AFLT3CCNE1CDK2
SCHEMBL2541355 0.84 GSK3B (0.59) GSK3BDYRK1AFLT3CCNE1CDK2
SCHEMBL2543947 0.81 GSK3B (0.63) GSK3BDYRK1AFLT3CCNE1CDK2
SCHEMBL2540531 0.79 GSK3B (0.65) GSK3BDYRK1AFLT3CCNE1CDK2
SCHEMBL2544929 0.79 CCNT1 (0.58) GSK3BDYRK1AFLT3CDK2CDK1
SCHEMBL2539352 0.77 CDK1 (0.61) GSK3BFLT3CCNE1CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 — — US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — 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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 GSK3B 329/4885DYRK1A 542/4885FLT3 388/4885

“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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