SCHEMBL21541840

SCHEMBL21541840

C[C@@H]1CN(c2nnc3cnc4ccc(-c5ccc(OCCCN(C)C)c(C(F)(F)F)c5)cc4n23)C[C@H](C)O1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 11/20 0.49
▸ ATM Q13315 10/20 0.49
▸ CTSS P25774 4/20 0.41
▸ CTSK P43235 3/20 0.40
▸ PIK3CB P42338 9/20 0.37
▸ ATR Q13535 9/20 0.37
▸ ATRIP Q8WXE1 9/20 0.37
▸ MTOR P42345 4/20 0.34
▸ SERPINA2 P20848 2/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ PIK3CA P42336 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
SCHEMBL21541769 0.91 ATM (0.48) PRKDCATMCTSSCTSKPIK3CB
SCHEMBL21541756 0.91 ATM (0.48) PRKDCATMCTSSCTSKPIK3CB
SCHEMBL27124053 0.91 ATM (0.48) PRKDCATMCTSSCTSKPIK3CB
SCHEMBL21541786 0.90 ATM (0.51) PRKDCATMPIK3CBATRATRIP
SCHEMBL21541780 0.88 ATM (0.51) PRKDCATMPIK3CBATRATRIP
SCHEMBL21541816 0.88 CTSS (0.42) PRKDCATMCTSSCTSK
SCHEMBL21541789 0.87 ATM (0.48) PRKDCATMCTSSCTSKPIK3CB
SCHEMBL29742730 0.87 CTSS (0.41) PRKDCATMCTSSCTSKPIK3CB
SCHEMBL21541812 0.87 PRKDC (0.58) PRKDCATMCTSSCTSKPIK3CB
SCHEMBL21541728 0.80 PRKDC (0.44) PRKDCATMCTSSCTSKPIK3CB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 — — 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 claimed
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-12-29 — — US 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-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 — — EP disclosed
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 PRKDC 61/4885ATM 35/4885CTSS 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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