SCHEMBL31679049

SCHEMBL31679049

CN(C)CCOc1cccc(-c2nccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.47
▸ CDK4 P11802 6/20 0.47
▸ CCND1 P24385 6/20 0.47
▸ CDK1 P06493 3/20 0.47
▸ CCNB1 P14635 3/20 0.47
▸ CCNE1 P24864 3/20 0.47
▸ PTK2 Q05397 2/20 0.45
▸ ACVR1 Q04771 5/20 0.44
▸ CCNA2 P20248 3/20 0.43
▸ TTK P33981 1/20 0.43
▸ MYLK4 Q86YV6 2/20 0.43
▸ STK17A Q9UEE5 2/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ BRD2 P25440 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ BRD3 Q15059 1/20 0.41
▸ BRDT Q58F21 1/20 0.41
▸ FGFR1 P11362 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
SCHEMBL16823266 1.00 CDK2 (0.47) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16515322 0.91 SYK (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL29847788 0.91 SYK (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL31679045 0.91 ACVR1 (0.45) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16514675 0.91 ACVR1 (0.45) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL31679059 0.90 CDK2 (0.49) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16514530 0.90 CDK2 (0.49) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16514044 0.89 JAK2 (0.51) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL29847745 0.89 JAK2 (0.51) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16514184 0.86 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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