SCHEMBL633481

SCHEMBL633481

Nc1cccc(Oc2cccc(Cl)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.67
ALDH1A1 P00352 5/20 0.64
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP3A4 P08684 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
MITF O75030 1/20 0.52
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52
NLRP1 Q9C000 1/20 0.52
NOD2 Q9HC29 1/20 0.52
ATM Q13315 1/20 0.49
TP53 P04637 1/20 0.47
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
WDR5 P61964 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
SCHEMBL7190143 0.90 MAOB (0.64) MAOBALDH1A1MAPTPOLBHSP90AA1
Hydrochloric Acid SCHEMBL10631813 0.88 MAOB (0.62) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL7181908 0.88 MAOB (0.62) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL6206121 0.87 RHEB (0.52) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL55303 0.87 MAOB (0.86) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL30107929 0.87 MAOB (0.86) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL29414092 0.87 MAOB (0.86) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL29924283 0.87 RHEB (0.52) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL555102 0.86 ALDH1A1 (0.73) MAOBALDH1A1MAPTPOLBCYP3A4
SCHEMBL29442860 0.86 ALDH1A1 (0.73) MAOBALDH1A1MAPTPOLBCYP3A4

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 44 patents — showing the first 20. 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
EP-4157844-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 Centre national de la recherche scientifique (FR) 2023-04-05 EP disclosed
WO-2021239727-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 CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-12-02 WO disclosed
EP-1486489-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2016-04-27 EP disclosed
EP-1486489-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2016-04-27 EP disclosed
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
CN-101528710-B Aminomethyl-4-imidazoles HOFFMANN LA ROCHE 2012-11-07 CN disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-1234825-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234826-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234824-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234823-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234827-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1204643-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-05-15 EP disclosed
EP-1196388-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-04-17 EP disclosed
US-6355660-B1 HETEROCYCLIC FUNGICIDES SUBSTITUTED WITH AMIDE GROUPS DOW AGROSCIENCES LLC 2002-03-12 US disclosed
WO-2001014339-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-03-01 WO disclosed
WO-2001005769-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-01-25 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-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 MAOB 2144/4885ALDH1A1 1935/4885MAPT 847/4885

“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.