SCHEMBL21541910

SCHEMBL21541910

Brc1ccc2ncc3nnc(CN4CCOCC4)n3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 10/20 0.39
▸ ATR Q13535 10/20 0.39
▸ ATRIP Q8WXE1 10/20 0.39
▸ PIK3CB P42338 9/20 0.39
▸ ATM Q13315 7/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MTOR P42345 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SERPINA2 P20848 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ CCR5 P51681 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL30359499 0.83 MAPT (0.34) PRKDCATRATRIPPIK3CBATM
SCHEMBL21541775 0.75 PRKDC (0.45) PRKDCATRATRIPPIK3CBATM
SCHEMBL30359502 0.75 PRKDC (0.45) PRKDCATRATRIPPIK3CBATM
SCHEMBL21541839 0.75 PRKDC (0.45) PRKDCATRATRIPPIK3CBATM
SCHEMBL21541748 0.75 ATM (0.56) PRKDCATRATRIPPIK3CBATM
SCHEMBL20374457 0.74 PRKDC (0.67) PRKDCATRATRIPPIK3CBATM
SCHEMBL17678330 0.72 POLB (0.49) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL797783 0.70 NPM1 (0.42) PRKDCATRATRIPPIK3CBATM
SCHEMBL796862 0.69 PRKDC (0.55) PRKDCATRATRIPPIK3CBATM
SCHEMBL16041430 0.69 MAPK1 (0.46) ALDH1A1KMT2ARXFP1KDM4EHPGD

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 4 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 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 61/4885ATR 91/4885ATRIP 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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