SCHEMBL21541718

SCHEMBL21541718

C[C@@H]1CN(c2nnc3cnc4ccc(-c5cc(F)c(N6CCC(N(C)C)CC6)c(C(F)(F)F)c5)cc4n23)C[C@H](C)N1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 11/20 0.37
▸ PRKDC P78527 10/20 0.37
▸ ATRIP Q8WXE1 9/20 0.37
▸ ATM Q13315 7/20 0.37
▸ PIK3CB P42338 9/20 0.36
▸ MELK Q14680 3/20 0.35
▸ MTOR P42345 5/20 0.35
▸ SERPINA2 P20848 3/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ WDR5 P61964 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ KDM1A O60341 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
SCHEMBL27129257 1.00 ATR (0.37) ATRPRKDCATRIPATMPIK3CB
SCHEMBL27133782 0.92 PRKDC (0.38) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541901 0.92 PRKDC (0.38) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541791 0.90 ATR (0.39) ATRPRKDCATRIPATMPIK3CB
SCHEMBL27124103 0.90 ATR (0.39) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541724 0.87 PRKDC (0.40) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541832 0.87 MET (0.34) ATRATMMELKMTORPIK3CA
SCHEMBL21541861 0.84 PRKDC (0.44) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541741 0.83 ATR (0.38) ATRPRKDCATRIPATMPIK3CB
SCHEMBL27127196 0.83 ATR (0.38) ATRPRKDCATRIPATMPIK3CB

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 ATR 91/4885PRKDC 61/4885ATRIP 738/4885

“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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