SCHEMBL31679059

SCHEMBL31679059

CN(C)CCOc1ccc(-c2nccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.49
▸ CDK4 P11802 5/20 0.49
▸ CCND1 P24385 5/20 0.49
▸ CDK1 P06493 3/20 0.49
▸ CCNB1 P14635 3/20 0.49
▸ CCNE1 P24864 3/20 0.49
▸ CCNA2 P20248 2/20 0.48
▸ TTK P33981 1/20 0.48
▸ IKBKB O14920 1/20 0.46
▸ STK17A Q9UEE5 3/20 0.45
▸ MYLK4 Q86YV6 2/20 0.45
▸ CCND2 P30279 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ KCNH2 Q12809 4/20 0.44
▸ ACVR1 Q04771 2/20 0.43
▸ EGFR P00533 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
SCHEMBL16514530 1.00 CDK2 (0.49) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16515298 0.91 CDK2 (0.49) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL29847518 0.91 CDK2 (0.49) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16823266 0.90 CDK2 (0.47) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL31679049 0.90 CDK2 (0.47) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL31679055 0.90 MYLK4 (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16515086 0.90 MYLK4 (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL29848232 0.87 CDK2 (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16514184 0.87 CDK2 (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL29848066 0.87 CDK2 (0.46) CDK2CDK4CCND1CDK1CCNB1

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-12403145-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC (US) 2025-09-02 — — US claimed

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-12403145-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 CDK2 35/4885CDK4 156/4885CCND1 1018/4885

“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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