SCHEMBL12374660

SCHEMBL12374660

Cc1ccc(-n2c(C(C)C)nc3cc(C(=O)N4CCC(c5cccnc5)C4)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.53
SPR P35270 1/20 0.45
HPGD P15428 3/20 0.43
MGLL Q99685 1/20 0.43
PADI4 Q9UM07 1/20 0.43
PROKR1 Q8TCW9 7/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CRBN Q96SW2 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD11B1 P28845 1/20 0.40
KDM5A P29375 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
SCHEMBL2278753 0.90 SPR (0.53) NAMPTSPRHPGDMGLLPADI4
SCHEMBL2286262 0.88 NAMPT (0.50) NAMPTSPRHPGDPADI4
SCHEMBL2283196 0.85 NAMPT (0.56) NAMPTSPRPADI4PROKR1HSD11B1
SCHEMBL2283237 0.84 SPR (0.52) NAMPTSPRHPGDPADI4PROKR1
SCHEMBL2285726 0.84 MGLL (0.61) NAMPTSPRHPGDMGLLPADI4
SCHEMBL2285457 0.82 NAMPT (0.49) NAMPTSPRHPGDPADI4
SCHEMBL2281899 0.81 HPGD (0.44) NAMPTHPGD
SCHEMBL2277793 0.81 NAMPT (0.48) NAMPTSPRHPGDPADI4
SCHEMBL2282198 0.81 NAMPT (0.48) NAMPTSPRHPGDMGLL
SCHEMBL2280200 0.79 NAMPT (0.58) NAMPTSPRHPGDMGLLPADI4

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-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 NAMPT 1938/4885SPR 3835/4885HPGD 1081/4885

“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.