SCHEMBL21541836

SCHEMBL21541836

CCNC1CCN(c2ccc(-c3ccc4ncc5nnc(N6C[C@@H](C)N(C)[C@@H](C)C6)n5c4n3)cc2C(F)(F)F)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.33
▸ CCNA2 P20248 6/20 0.33
▸ CDK2 P24941 6/20 0.33
▸ CCNA1 P78396 6/20 0.33
▸ CDK4 P11802 2/20 0.32
▸ CCND3 P30281 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ WDR5 P61964 7/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ MTOR P42345 1/20 0.31

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
SCHEMBL29559929 1.00 S1PR1 (0.33) S1PR1CCNA2CDK2CCNA1CDK4
SCHEMBL29559089 0.92 CCNA2 (0.34) S1PR1CCNA2CDK2CCNA1CDK4
SCHEMBL21541763 0.92 CCNA2 (0.34) S1PR1CCNA2CDK2CCNA1CDK4
SCHEMBL21541827 0.91 MET (0.36) S1PR1CCNA2CDK2CCNA1CDK4
SCHEMBL30359441 0.91 MET (0.36) S1PR1CCNA2CDK2CCNA1CDK4
SCHEMBL21541801 0.91 FFAR4 (0.34) WDR5
SCHEMBL30359401 0.91 FFAR4 (0.34) WDR5
SCHEMBL21541715 0.88 PRKDC (0.37) WDR5MTOR
SCHEMBL21541779 0.88 CDK4 (0.35) S1PR1CCNA2CDK2CCNA1CDK4
SCHEMBL30359425 0.88 PRKDC (0.37) WDR5MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 — — EP claimed
EP-3567041-A1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics, Inc (CN) 2019-11-13 — — EP claimed
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 — — EP disclosed
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-12-29 — — US disclosed
EP-3567041-A1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics, Inc (CN) 2019-11-13 — — EP 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-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof CHEK1, CHEK2, CDK1 S1PR1 2498/4885CCNA2 309/4885CDK2 47/4885

“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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