SCHEMBL30595965

SCHEMBL30595965

CN1CCc2[nH]c3ncnc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 3/20 0.47
▸ TNK2 Q07912 1/20 0.44
▸ LIMK1 P53667 5/20 0.43
▸ LIMK2 P53671 5/20 0.43
▸ KIT P10721 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ GRM5 P41594 6/20 0.41
▸ GRM1 Q13255 6/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ PDK4 Q16654 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
SCHEMBL30595948 0.88 TNK2 (0.47) CDK9TNK2LIMK1LIMK2KIT
SCHEMBL30595945 0.88 TNK2 (0.47) CDK9TNK2LIMK1LIMK2KIT
SCHEMBL30595928 0.87 TNK2 (0.47) CDK9TNK2LIMK1LIMK2KIT
SCHEMBL30595936 0.85 TNK2 (0.44) CDK9TNK2LIMK1LIMK2KIT
SCHEMBL24074603 0.85 TNK2 (0.47) CDK9TNK2LIMK1LIMK2KIT
SCHEMBL30595929 0.85 TNK2 (0.45) CDK9TNK2LIMK1LIMK2KIT
SCHEMBL30595923 0.81 LIMK1 (0.64) CDK9TNK2LIMK1LIMK2KIT
SCHEMBL24061118 0.76 LIMK1 (0.67) LIMK1LIMK2
SCHEMBL24074591 0.76 LIMK1 (0.71) LIMK1LIMK2
SCHEMBL24061119 0.76 LIMK1 (0.67) LIMK1LIMK2

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
EP-4157844-B1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-07-10 — — EP disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 — — US 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-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER LIMK1, LIMK2, ROCK1 CDK9 256/4885TNK2 31/4885LIMK1 1/4885

“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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