SCHEMBL2830866

SCHEMBL2830866

COC(=O)C(C)n1cncn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.39
CYP26A1 O43174 6/20 0.39
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP19A1 P11511 4/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
HSP90AA1 P07900 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL10361017 0.82 ALDH1A1 (0.46) PDE4DCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL9366536 0.79 CYP19A1 (0.39) PDE4DCYP26A1CYP3A4CYP1A2CYP2D6
SCHEMBL29429636 0.77 CYP19A1 (0.38) PDE4DCYP26A1CYP3A4CYP1A2CYP2D6
SCHEMBL2823223 0.76 KMT2A (0.35) PDE4DCYP26A1CYP3A4CYP1A2CYP2D6
SCHEMBL7104933 0.74 MAPT (0.39) PDE4DCYP3A4CYP19A1ALDH1A1KMT2A
SCHEMBL10709771 0.71 MAPT (0.43) PDE4DCYP26A1CYP3A4CYP1A2CYP2D6
SCHEMBL9711386 0.71 CYP19A1 (0.55) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL10492468 0.70 GAA (0.37) ALDH1A1MAPT
SCHEMBL30697576 0.70 KMT2A (0.38) CYP26A1ALDH1A1KMT2AMAPTMEN1
SCHEMBL10362298 0.70 KMT2A (0.38) CYP26A1ALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US disclosed
EP-0158448-B1 AZOLYL PROPANOLS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-29 EP disclosed
US-4833159-A FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-23 US disclosed
US-4689337-A 1,2,4-TRIAZOLYL AND PYRAZOLYL GROUPS; FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-25 US disclosed
EP-0158448-A2 Azolyl propanols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-10-16 EP 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-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 PDE4D 923/4885CYP26A1 251/4885CYP3A4 205/4885

“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.