SCHEMBL21541859

SCHEMBL21541859

C[C@@H]1C[C@H](C)CN(c2nnc3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)c(C(F)(F)F)c5)cc4n23)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 13/20 0.39
▸ PIK3CB P42338 11/20 0.39
▸ ATR Q13535 13/20 0.38
▸ ATRIP Q8WXE1 11/20 0.38
▸ ATM Q13315 9/20 0.38
▸ MTOR P42345 6/20 0.36
▸ SERPINA2 P20848 3/20 0.36
▸ MELK Q14680 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 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
SCHEMBL21541791 0.91 ATR (0.39) PRKDCPIK3CBATRATRIPATM
SCHEMBL27124103 0.91 ATR (0.39) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541730 0.91 PRKDC (0.40) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541732 0.90 PRKDC (0.40) PRKDCPIK3CBATRATRIPATM
SCHEMBL27127196 0.89 ATR (0.38) PRKDCPIK3CBATRATRIPATM
SCHEMBL27123583 0.89 PRKDC (0.37) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541796 0.89 PRKDC (0.37) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541741 0.89 ATR (0.38) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541716 0.87 CDK4 (0.34) MTORMELKCSF1RCDK4CDK6
SCHEMBL21541743 0.83 PRKDC (0.47) PRKDCPIK3CBATRATRIPATM

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 61/4885PIK3CB 89/4885ATR 91/4885

“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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