SCHEMBL21541816

SCHEMBL21541816

C[C@@H]1CN(c2nnc3cnc4ccc(-c5ccc(OCCCN(C)C)c(C(F)(F)F)c5)nc4n23)C[C@H](C)O1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 9/20 0.42
▸ CTSK P43235 8/20 0.41
▸ ATM Q13315 6/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ GAK O14976 1/20 0.35
▸ S1PR1 P21453 2/20 0.34
▸ MET P08581 1/20 0.34
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 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
SCHEMBL21541731 0.92 CTSS (0.42) CTSSCTSKATMPRKDC
SCHEMBL21541869 0.91 CTSS (0.44) CTSSCTSKATMPRKDC
SCHEMBL21541840 0.88 PRKDC (0.49) CTSSCTSKATMPRKDC
SCHEMBL30689455 0.88 CTSS (0.44) CTSSCTSKATMPRKDC
SCHEMBL21541777 0.88 CTSS (0.44) CTSSCTSKATMPRKDC
SCHEMBL21541788 0.87 ATM (0.45) CTSSCTSKATMPRKDC
SCHEMBL21541751 0.81 PRKDC (0.59) CTSSCTSKATMPRKDC
SCHEMBL29559426 0.81 PRKDC (0.59) CTSSCTSKATMPRKDC
SCHEMBL21541857 0.81 CDK4 (0.35) GAKS1PR1METITGB2ICAM1
SCHEMBL21541838 0.81 ATM (0.39) CTSSATMPRKDC

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 CTSS 1387/4885CTSK 1513/4885ATM 35/4885

“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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