SCHEMBL5634281

SCHEMBL5634281

Cc1nc2c3c(ccn2c1C)C(=O)CC(c1c(Cl)cccc1Cl)N3

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 4/20 0.41
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
ATP4A P20648 2/20 0.30
ATP4B P51164 2/20 0.30
MAT2A P31153 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5634862 0.89 CYP3A4 (0.41) CYP3A4CYP2C9MAPTALDH1A1
SCHEMBL5040717 0.85 CYP2C9 (0.52) CYP3A4CYP2C9MAPTALDH1A1BRD4
SCHEMBL5045178 0.85 CYP2C9 (0.52) CYP3A4CYP2C9MAPTALDH1A1BRD4
SCHEMBL5840196 0.78 CYP3A4 (0.41) CYP3A4CYP2C9ALDH1A1GAA
SCHEMBL1814419 0.76 CYP3A4 (0.35) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6061289 0.69 CYP3A4 (0.33) CYP3A4CYP2C9GAAL3MBTL1LMNA
SCHEMBL1818094 0.68 CYP3A4 (0.36) CYP3A4CYP2C9GAAL3MBTL1ATP4A
SCHEMBL5747928 0.67 CYP3A4 (0.43) CYP3A4CYP2C9ATP4AATP4B
SCHEMBL1814134 0.67 CYP3A4 (0.43) CYP3A4CYP2C9ATP4AATP4B
SCHEMBL1217601 0.67 CYP3A4 (0.43) CYP3A4CYP2C9ATP4AATP4B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971922-B1 TETRAHYDROPYRIDO COMPOUNDS ALTANA PHARMA AG (DE) 2004-04-28 EP claimed
US-6197783-B1 THERAPY FOR GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-06 US claimed
EP-0971922-A1 TETRAHYDROPYRIDO COMPOUNDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-01-19 EP claimed
WO-1998042707-A1 TETRAHYDROPYRIDO COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-10-01 WO claimed
US-7196196-B2 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2007-03-27 US disclosed
US-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
EP-0971922-B1 TETRAHYDROPYRIDO COMPOUNDS ALTANA PHARMA AG (DE) 2004-04-28 EP disclosed
US-6197783-B1 THERAPY FOR GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-06 US disclosed
EP-0971922-A1 TETRAHYDROPYRIDO COMPOUNDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-01-19 EP disclosed
WO-1998042707-A1 TETRAHYDROPYRIDO COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-10-01 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-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BTN3A1, DHPS, NISCH CYP3A4 48/4885CYP2C9 249/4885MAPT 1954/4885

“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.