SCHEMBL30595923

SCHEMBL30595923

Cc1[nH]c2ncnc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2c1C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 9/20 0.64
▸ LIMK2 P53671 9/20 0.64
▸ TNK2 Q07912 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ GRM1 Q13255 5/20 0.47
▸ GRM5 P41594 4/20 0.47
▸ CDK9 P50750 2/20 0.45
▸ PDK4 Q16654 1/20 0.43
▸ NAMPT P43490 1/20 0.43

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
SCHEMBL30595945 0.83 TNK2 (0.47) LIMK1LIMK2TNK2KITGRM1
SCHEMBL30595948 0.83 TNK2 (0.47) LIMK1LIMK2TNK2KITGRM1
SCHEMBL30595928 0.82 TNK2 (0.47) LIMK1LIMK2TNK2KITGRM1
SCHEMBL30595965 0.81 CDK9 (0.47) LIMK1LIMK2TNK2KITGRM1
SCHEMBL30595936 0.81 TNK2 (0.44) LIMK1LIMK2TNK2KITGRM1
SCHEMBL4008367 0.81 LIMK1 (0.51) LIMK1LIMK2TNK2
SCHEMBL30595921 0.81 LIMK1 (0.51) LIMK1LIMK2TNK2
SCHEMBL30595935 0.81 LIMK1 (0.59) LIMK1LIMK2TNK2
SCHEMBL24074603 0.80 TNK2 (0.47) LIMK1LIMK2TNK2KITGRM1
SCHEMBL30595929 0.80 TNK2 (0.45) LIMK1LIMK2TNK2KITGRM1

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

“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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