SCHEMBL21541723

SCHEMBL21541723

C[C@@H]1CN(c2nnc3cnc4ccc(-c5cc(Cl)c(N6CCC(N(C)C)CC6)c(C(F)(F)F)c5)nc4n23)C[C@H](C)N1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 14/20 0.35
▸ DYRK1A Q13627 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ PDE3B Q13370 2/20 0.31
▸ PDE3A Q14432 2/20 0.31
▸ MET P08581 1/20 0.31
▸ CTSC P53634 1/20 0.31
▸ PTGES O14684 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
SCHEMBL21541832 0.93 MET (0.34) MELKPDE3BPDE3AMET
SCHEMBL21541779 0.89 CDK4 (0.35) HSD11B1PDE3BPDE3AMET
SCHEMBL29558902 0.89 CDK4 (0.35) HSD11B1PDE3BPDE3AMET
SCHEMBL21541800 0.87 MELK (0.35) MELKPDE3BPDE3AMET
SCHEMBL27133782 0.87 PRKDC (0.38) MELK
SCHEMBL21541901 0.87 PRKDC (0.38) MELK
SCHEMBL21541831 0.83 SYK (0.37) PDE3BPDE3AMET
SCHEMBL29559139 0.83 SYK (0.37) PDE3BPDE3AMET
SCHEMBL21541746 0.82 CDK4 (0.37) MELKHSD11B1PDE3BPDE3AMET
SCHEMBL21541749 0.82 CSF1R (0.37) MELKDYRK1APDE3BPDE3AMET

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 MELK 1539/4885DYRK1A 213/4885HSD11B1 2692/4885

“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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