SCHEMBL29614796

SCHEMBL29614796

Cc1nc(NC(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)n(C)c1-c1ccc2cc(N)ncc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.55
▸ CDK2 P24941 1/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ ABL1 P00519 8/20 0.53
▸ FGFR4 P22455 5/20 0.53
▸ ABL2 P42684 1/20 0.53
▸ SRC P12931 6/20 0.53
▸ FLT3 P36888 1/20 0.50
▸ KIT P10721 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ BRAF P15056 1/20 0.49
▸ RET P07949 1/20 0.49
▸ KDR P35968 1/20 0.49

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
SCHEMBL19307188 1.00 CDK1 (0.55) CDK1CDK2CDK8ABL1FGFR4
SCHEMBL19307144 0.83 ABL1 (0.57) CDK1CDK2CDK8ABL1FGFR4
SCHEMBL19307164 0.83 ABL1 (0.65) CDK1CDK2CDK8ABL1FGFR4
SCHEMBL29614886 0.83 ABL1 (0.57) CDK1CDK2CDK8ABL1FGFR4
SCHEMBL29614931 0.83 ABL1 (0.65) CDK1CDK2CDK8ABL1FGFR4
SCHEMBL19316712 0.80 FGFR4 (0.59) CDK1CDK2CDK8ABL1FGFR4
SCHEMBL29614800 0.80 ABL1 (0.51) CDK1CDK2CDK8ABL1FGFR4
SCHEMBL19307131 0.80 ABL1 (0.51) CDK1CDK2CDK8ABL1FGFR4
SCHEMBL27927274 0.78 ABL1 (0.60) CDK1CDK2CDK8ABL1FGFR4
SCHEMBL23732816 0.76 ABL1 (0.53) CDK1CDK2CDK8ABL1FGFR4

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-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 — — 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-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 CDK1 3629/4885CDK2 3011/4885CDK8 3702/4885

“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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