SCHEMBL29614857

SCHEMBL29614857

CN1CCC(Cc2ccc(NC(=O)Nc3cc(-c4ccc5cc(N)ncc5c4)n(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.51
▸ ABL2 P42684 6/20 0.51
▸ NTRK1 P04629 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ MAPK14 Q16539 3/20 0.43
▸ FGFR4 P22455 4/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ RET P07949 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ SRC P12931 2/20 0.40

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
SCHEMBL19307090 1.00 ABL1 (0.51) ABL1ABL2NTRK1NTRK3NTRK2
SCHEMBL24449243 0.89 ABL1 (0.56) ABL1ABL2NTRK1NTRK3NTRK2
SCHEMBL29614931 0.88 ABL1 (0.65) ABL1ABL2NTRK1NTRK3NTRK2
SCHEMBL19307164 0.88 ABL1 (0.65) ABL1ABL2NTRK1NTRK3NTRK2
SCHEMBL19307229 0.82 ABL1 (0.45) ABL1ABL2NTRK1NTRK3NTRK2
SCHEMBL29614852 0.82 ABL1 (0.45) ABL1ABL2NTRK1NTRK3NTRK2
SCHEMBL20214559 0.81 FGFR4 (0.53) ABL1ABL2MAPK14FGFR4RET
SCHEMBL23732816 0.79 ABL1 (0.53) ABL1ABL2NTRK1NTRK3NTRK2
SCHEMBL19316719 0.79 ABL1 (0.55) ABL1ABL2MAPK14FGFR4CDK1
SCHEMBL24448260 0.78 ABL1 (0.73) ABL1ABL2NTRK1NTRK3NTRK2

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 ABL1 4516/4885ABL2 2755/4885NTRK1 4371/4885

“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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