SCHEMBL9995322

SCHEMBL9995322

Nc1nc2ccc(F)cc2n1-c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.49
GSR P00390 1/20 0.40
PIK3CD O00329 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
BACE1 P56817 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL9994939 0.83 HCAR1 (0.47) HCAR1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9994903 0.79 HCAR1 (0.47) HCAR1PIK3CDPIK3CAPIK3CBNPC1
SCHEMBL17582837 0.79 GSR (0.45) GSRPIK3CAMAPK14NPC1RAB9A
SCHEMBL14247504 0.79 HCAR1 (0.49) HCAR1NPC1RAB9AKMT2AMEN1
SCHEMBL14247592 0.78 HCAR1 (0.47) HCAR1MAPK14NPC1RAB9AKMT2A
SCHEMBL9995179 0.78 NPC1 (0.52) HCAR1NPC1RAB9AKMT2AMEN1
SCHEMBL9995253 0.77 GSR (0.40) GSRPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL14247198 0.77 KMT2A (0.51) HCAR1NPC1RAB9AKMT2AMEN1
SCHEMBL10288659 0.74 POLB (0.53) HCAR1PIK3CGKMT2AMEN1MAPT
SCHEMBL16061226 0.74 CYP11B2 (0.39) GSRNPC1RAB9ABACE1CYP11B1

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 406/4885GSR 2101/4885PIK3CD 742/4885

“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.