SCHEMBL24137467

SCHEMBL24137467

c1ccc(CNc2cncc(-c3cnc4[nH]ncc4c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.49
▸ CYP11B2 P19099 1/20 0.47
▸ KDR P35968 1/20 0.46
▸ METAP2 P50579 1/20 0.45
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ RPS6KB1 P23443 2/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ DBF4 Q9UBU7 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ PRKX P51817 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44

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
SCHEMBL24137563 0.85 CCNC (0.61) KDRCCNCCDK8CDK2RPS6KB1
SCHEMBL24137515 0.84 RPS6KB1 (0.52) KDRLMNACDK2RPS6KB1ROCK2
SCHEMBL18452014 0.83 PIK3CA (0.43) KDRCDK8LMNACDK2RPS6KB1
SCHEMBL24137530 0.82 FGFR1 (0.56) KCNH2KDRCCNCCDK8CDK2
SCHEMBL13743125 0.80 KCNH2 (0.56) KCNH2CYP11B2KDRMETAP2CLK4
SCHEMBL4932096 0.76 KCNH2 (0.53) KCNH2CYP11B2KDRMETAP2CDK8
SCHEMBL25933932 0.76 DYRK1A (0.50) CCNCCDK8CDK2RPS6KB1ROCK2
SCHEMBL29930718 0.75 AXL (0.61) KDRCDK8CDK2RPS6KB1ROCK2
SCHEMBL15799162 0.75 CCNC (0.77) KDRCCNCCDK8CDK2RPS6KB1
SCHEMBL15799164 0.75 CCNC (0.77) KDRCCNCCDK8CDK2RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — US disclosed
WO-2021263129-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-30 — — 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 KCNH2 718/4885CYP11B2 3253/4885KDR 2041/4885

“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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