SCHEMBL21541716

SCHEMBL21541716

C[C@@H]1C[C@H](C)CN(c2nnc3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)c(C(F)(F)F)c5)nc4n23)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 3/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ MET P08581 1/20 0.34
▸ NOTUM Q6P988 2/20 0.33
▸ CCNA2 P20248 6/20 0.33
▸ CDK2 P24941 6/20 0.33
▸ CCNA1 P78396 6/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ CCND3 P30281 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MELK Q14680 1/20 0.32
▸ MTOR P42345 2/20 0.32
▸ PIM1 P11309 1/20 0.32

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
SCHEMBL21541733 0.94 CDK4 (0.37) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541857 0.92 CDK4 (0.35) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541779 0.92 CDK4 (0.35) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL29558902 0.92 CDK4 (0.35) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541808 0.91 S1PR1 (0.37) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541746 0.89 CDK4 (0.37) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541766 0.89 EML4 (0.34) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL27132009 0.89 EML4 (0.34) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541859 0.87 PRKDC (0.39) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541845 0.83 PIK3CD (0.38) CDK4CSF1RCDK6PDE3BPDE3A

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 CDK4 38/4885CSF1R 2386/4885CDK6 40/4885

“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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