SCHEMBL30595945

SCHEMBL30595945

CC(C)(C)OC(=O)N1CC=C(c2ncnc3[nH]c4c(c23)CCCC4)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 1/20 0.47
▸ LIMK1 P53667 7/20 0.45
▸ LIMK2 P53671 7/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ GRM1 Q13255 5/20 0.43
▸ GRM5 P41594 4/20 0.43
▸ JAK1 P23458 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ PDK4 Q16654 1/20 0.41
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL30595928 0.99 TNK2 (0.47) TNK2LIMK1LIMK2CDK9GRM1
SCHEMBL30595948 0.98 TNK2 (0.47) TNK2LIMK1LIMK2CDK9GRM1
SCHEMBL24074603 0.89 TNK2 (0.47) TNK2LIMK1LIMK2CDK9GRM1
SCHEMBL30595965 0.88 CDK9 (0.47) TNK2LIMK1LIMK2CDK9GRM1
SCHEMBL30595936 0.88 TNK2 (0.44) TNK2LIMK1LIMK2CDK9GRM1
SCHEMBL30595929 0.87 TNK2 (0.45) TNK2LIMK1LIMK2CDK9GRM1
SCHEMBL30595923 0.83 LIMK1 (0.64) TNK2LIMK1LIMK2CDK9GRM1
SCHEMBL4008367 0.78 LIMK1 (0.51) TNK2LIMK1LIMK2
SCHEMBL30595935 0.78 LIMK1 (0.59) TNK2LIMK1LIMK2
SCHEMBL30595921 0.78 LIMK1 (0.51) TNK2LIMK1LIMK2

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 TNK2 31/4885LIMK1 1/4885LIMK2 2/4885

“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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