SCHEMBL22013653

SCHEMBL22013653

NC(=O)c1ccnc2ccc(N3CCCC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 11/20 0.51
PARP1 P09874 4/20 0.44
CDC7 O00311 2/20 0.42
ROCK2 O75116 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
MELK Q14680 1/20 0.41
NPC1 O15118 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKD1 Q15139 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
CDK9 P50750 1/20 0.39
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39

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
SCHEMBL29947967 0.88 ATR (0.51) MAP4K4ATRATRIP
SCHEMBL22014120 0.83 MAP4K4 (0.45) MAP4K4MELKNPC1
SCHEMBL22013643 0.78 MAP4K4 (0.61) MAP4K4
SCHEMBL22013645 0.76 MAP4K4 (0.55) MAP4K4
SCHEMBL21997840 0.76 PIK3CA (0.52) CLK4ATRATRIP
SCHEMBL23836946 0.75 HSD11B1 (0.45) MAP4K4MELK
SCHEMBL23836983 0.75 MAP4K4 (0.54) MAP4K4
SCHEMBL22013226 0.75 MAP4K4 (0.54) MAP4K4
SCHEMBL20998482 0.73 PARP1 (0.50) MAP4K4PARP1CDC7ROCK2CDK2
SCHEMBL21997022 0.72 PIK3CA (0.45) CLK4NPC1ATRATRIP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 US disclosed
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 WO 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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 MAP4K4 94/4885PARP1 1972/4885CDC7 364/4885

“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.