SCHEMBL26378352

SCHEMBL26378352

CC(=O)NCCCOc1cccc(-c2cccc(C(C)C)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ MTNR1A P48039 14/20 0.56
▸ MTNR1B P49286 14/20 0.56
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NSD2 O96028 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL24061152 0.83 L3MBTL1 (0.62) L3MBTL1MTNR1AMTNR1B
SCHEMBL11184622 0.82 L3MBTL1 (0.61) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL24061162 0.82 L3MBTL1 (0.61) L3MBTL1MTNR1AMTNR1B
SCHEMBL26378357 0.80 MEN1 (0.45) KDM4EALDH1A1SMN1; SMN2LMNANSD2
SCHEMBL18737436 0.77 CA12 (0.54) KDM4EALDH1A1SMN1; SMN2LMNANSD2
SCHEMBL11180030 0.76 ACHE (0.54) L3MBTL1MTNR1AMTNR1B
SCHEMBL17164162 0.76 L3MBTL1 (0.68) L3MBTL1MTNR1AMTNR1BKDM4E
Ammonia Solution, Strong SCHEMBL11181888 0.75 ACHE (0.53) L3MBTL1MTNR1AMTNR1B
SCHEMBL11178103 0.75 ACHE (0.56) L3MBTL1MTNR1AMTNR1B
SCHEMBL17164001 0.75 L3MBTL1 (0.75) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1

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-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
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 L3MBTL1 3922/4885MTNR1A 3125/4885MTNR1B 3301/4885

“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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