SCHEMBL2277920

SCHEMBL2277920

O=C(c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2CC(F)(F)F)N1CCC(c2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.51
SPR P35270 1/20 0.47
HSD11B1 P28845 1/20 0.47
CNR2 P34972 3/20 0.44
P2RX3 P56373 2/20 0.43
P2RX2 Q9UBL9 2/20 0.43
KMT2A Q03164 1/20 0.43
PADI4 Q9UM07 4/20 0.42
BCHE P06276 1/20 0.41
CNR1 P21554 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
F10 P00742 1/20 0.39

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
SCHEMBL2282259 0.89 NAMPT (0.59) NAMPTSPRHSD11B1CNR2P2RX3
SCHEMBL2276205 0.87 NAMPT (0.51) NAMPTSPRHSD11B1CNR2P2RX3
SCHEMBL2278465 0.86 NAMPT (0.51) NAMPTSPRHSD11B1CNR2P2RX3
SCHEMBL2282193 0.84 NAMPT (0.55) NAMPTSPRHSD11B1PADI4F10
SCHEMBL2284903 0.84 SPR (0.51) NAMPTSPRHSD11B1PADI4PROKR1
SCHEMBL2282199 0.82 NAMPT (0.58) NAMPTSPRPADI4
SCHEMBL2278276 0.82 NAMPT (0.57) NAMPTSPRPADI4
SCHEMBL2276208 0.79 NAMPT (0.49) NAMPTSPRHSD11B1KMT2ACCNC
SCHEMBL2282316 0.79 NAMPT (0.57) NAMPTSPRPADI4
SCHEMBL2284970 0.78 NAMPT (0.55) NAMPTSPRPADI4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP claimed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US claimed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US claimed
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
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 3835/4885HSD11B1 3304/4885

“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.