SCHEMBL9995244

SCHEMBL9995244

Cc1ccc2c(c1)nc(N)n2-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 3/20 0.46
TLR8 Q9NR97 2/20 0.46
ALDH1A1 P00352 4/20 0.42
DHFR P00374 1/20 0.41
MAPT P10636 3/20 0.41
PDE10A Q9Y233 4/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37

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
SCHEMBL14247504 0.82 HCAR1 (0.49) HCAR1TLR8ALDH1A1MAPTTP53
SCHEMBL5911642 0.78 ALDH1A1 (0.51) HCAR1ALDH1A1MAPTPDE10AKDM4E
SCHEMBL9995179 0.78 NPC1 (0.52) HCAR1TLR8MAPTNPC1GAA
SCHEMBL9994939 0.77 HCAR1 (0.47) HCAR1ALDH1A1MAPTTP53NPC1
SCHEMBL12912566 0.74 TP53 (0.54) HCAR1ALDH1A1MAPTTP53HPGD
SCHEMBL15214855 0.74 L3MBTL1 (0.56) HCAR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL10986633 0.74 ALDH1A1 (0.57) HCAR1ALDH1A1PDE10ATP53KDM4E
SCHEMBL9994903 0.74 HCAR1 (0.47) HCAR1ALDH1A1DHFRMAPTTP53
SCHEMBL9995322 0.73 HCAR1 (0.49) HCAR1MAPTNPC1GAARAB9A
SCHEMBL14247366 0.72 ALDH1A1 (0.47) HCAR1TLR8ALDH1A1MAPTHPGD

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-2582680-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 EP disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 WO disclosed
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 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-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 HCAR1 406/4885TLR8 865/4885ALDH1A1 235/4885

“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.