SCHEMBL21541788

SCHEMBL21541788

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 8/20 0.45
▸ PRKDC P78527 3/20 0.45
▸ CTSS P25774 11/20 0.42
▸ CTSK P43235 10/20 0.41
▸ PIK3CB P42338 2/20 0.34
▸ ATR Q13535 1/20 0.34
▸ ATRIP Q8WXE1 1/20 0.34

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
SCHEMBL21541751 0.89 PRKDC (0.59) ATMPRKDCCTSSCTSKPIK3CB
SCHEMBL29559426 0.89 PRKDC (0.59) ATMPRKDCCTSSCTSKPIK3CB
SCHEMBL21541812 0.89 PRKDC (0.58) ATMPRKDCCTSSCTSKPIK3CB
SCHEMBL21541816 0.87 CTSS (0.42) ATMPRKDCCTSSCTSK
SCHEMBL21541731 0.83 CTSS (0.42) ATMPRKDCCTSSCTSK
SCHEMBL21541869 0.81 CTSS (0.44) ATMPRKDCCTSSCTSK
SCHEMBL21541721 0.81 PRKDC (0.36) ATMPRKDCPIK3CBATRATRIP
SCHEMBL30689457 0.81 PRKDC (0.36) ATMPRKDCPIK3CBATRATRIP
SCHEMBL21541777 0.80 CTSS (0.44) ATMPRKDCCTSSCTSK
SCHEMBL30689455 0.80 CTSS (0.44) ATMPRKDCCTSSCTSK

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 ATM 35/4885PRKDC 61/4885CTSS 1387/4885

“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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