SCHEMBL21541800

SCHEMBL21541800

C[C@@H]1CN(c2nnc3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)c(Cl)c5)nc4n23)C[C@H](C)N1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 8/20 0.35
▸ MET P08581 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ATM Q13315 2/20 0.33
▸ ATR Q13535 2/20 0.33
▸ WEE1 P30291 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ KMO O15229 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ SYK P43405 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
SCHEMBL21541893 0.92 MELK (0.37) MELKMETPDE3BPDE3AWEE1
SCHEMBL21541749 0.91 CSF1R (0.37) MELKMETPDE3BPDE3AATM
SCHEMBL21541779 0.91 CDK4 (0.35) METPDE3BPDE3AATMATR
SCHEMBL29558902 0.91 CDK4 (0.35) METPDE3BPDE3AATMATR
SCHEMBL21541823 0.91 GAK (0.36) MELKMETPDE3BPDE3AWEE1
SCHEMBL21541846 0.89 KMO (0.39) MELKMETPDE3BPDE3AWEE1
SCHEMBL21541831 0.88 SYK (0.37) METPDE3BPDE3AATMATR
SCHEMBL29559139 0.88 SYK (0.37) METPDE3BPDE3AATMATR
SCHEMBL21541723 0.87 MELK (0.35) MELKMETPDE3BPDE3A
SCHEMBL21541720 0.87 ATR (0.40) MELKMETPDE3BPDE3AATM

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 1539/4885MET 1663/4885PDE3B 1425/4885

“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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