SCHEMBL21541893

SCHEMBL21541893

CN(C)C1CCN(c2ccc(-c3ccc4ncc5nnc(N6CCC(N(C)C)CC6)n5c4n3)cc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 10/20 0.37
▸ KMO O15229 1/20 0.36
▸ WEE1 P30291 2/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL21541846 0.97 KMO (0.39) MELKKMOWEE1PTPN11JAK1
SCHEMBL21541800 0.92 MELK (0.35) MELKKMOWEE1PTPN11JAK1
SCHEMBL21541823 0.92 GAK (0.36) MELKKMOWEE1PTPN11JAK1
SCHEMBL21541845 0.90 PIK3CD (0.38) MELKJAK1JAK3KDM1AMET
SCHEMBL21541733 0.89 CDK4 (0.37) MELKKDM1APDE3BPDE3A
SCHEMBL21541797 0.87 PIK3CD (0.37) MELKJAK1JAK3KDM1AMET
SCHEMBL21541815 0.86 SYK (0.38) WEE1KDM1AMETPDE3BPDE3A
SCHEMBL21541808 0.86 S1PR1 (0.37) MELKPDE3BPDE3A
SCHEMBL21541754 0.86 PRKDC (0.48) MELK
SCHEMBL21541761 0.83 KCNH2 (0.37) KDM1AMETPDE3BPDE3AEGFR

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 1539/4885KMO 1246/4885WEE1 32/4885

“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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