SCHEMBL4246721

SCHEMBL4246721

CN(C)c1ccc2nc(C(=O)c3ccccc3)cn2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
CNR2 P34972 2/20 0.48
APP P05067 3/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
EGLN1 Q9GZT9 1/20 0.40
MAOA P21397 1/20 0.40
CYP2C9 P11712 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL2085892 0.84 RAB9A (0.50) RAB9AHPGDNPC1PTGS1PTGS2
SCHEMBL2088899 0.83 RAB9A (0.43) RAB9AHPGDNPC1CNR2PTGS1
SCHEMBL2436690 0.83 PTGS1 (0.54) NPC1APPPTGS1PTGS2ALDH1A1
Hydrochloric Acid SCHEMBL2086035 0.82 RAB9A (0.49) RAB9AHPGDNPC1PTGS1PTGS2
SCHEMBL2087833 0.81 PTGS1 (0.45) RAB9AHPGDNPC1PTGS1PTGS2
SCHEMBL2087968 0.81 PTGS1 (0.51) RAB9ANPC1CNR2PTGS1PTGS2
SCHEMBL3365520 0.80 NPC1 (0.65) RAB9AHPGDNPC1ALDH1A1MAPT
SCHEMBL2086415 0.79 RXFP1 (0.47) RAB9ANPC1CNR2APPPTGS1
SCHEMBL1728496 0.79 PTGS1 (0.50) RAB9AHPGDNPC1CNR2APP
SCHEMBL2087802 0.79 PTGS1 (0.46) RAB9ANPC1CNR2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-04 US claimed

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-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF NR4A2, NR4A3, NCOR1 RAB9A 3310/4885HPGD 2403/4885NPC1 791/4885

“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.