SCHEMBL17255232

SCHEMBL17255232

FC(F)(F)c1cc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
NPBWR1 P48145 1/20 0.43
DGAT1 O75907 1/20 0.42
KCNH2 Q12809 1/20 0.42
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
GLA P06280 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
FOXO1 Q12778 1/20 0.39
ALOX15 P16050 1/20 0.38
COMT P21964 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL17255355 0.90 TRPV1 (0.43) RAB9AKDM4EMAPTTP53MAPK1
SCHEMBL17255269 0.89 MAPT (0.42) RAB9APOLBKDM4EMAPTHPGD
SCHEMBL17255149 0.89 NPBWR1 (0.46) RAB9APOLBNPBWR1KDM4EMAPT
SCHEMBL17255216 0.86 RAB9A (0.49) RAB9APOLBADORA3KDM4EMAPT
SCHEMBL17268710 0.86 NPBWR1 (0.36) NPBWR1DGAT1KCNH2FOXO1CBFB
SCHEMBL17255186 0.86 KDM4E (0.36) NPBWR1DGAT1KCNH2KDM4EHPGD
SCHEMBL17255240 0.85 FOXO1 (0.38) NPBWR1HPGDLMNAFOXO1KMT2A
SCHEMBL17255175 0.85 GUSB (0.39) NPBWR1ADORA3CBFB
SCHEMBL17268762 0.85 POLB (0.47) RAB9APOLBADORA3KDM4EMAPT
SCHEMBL17255263 0.83 AMY1A (0.37) RAB9AKDM4EMAPTHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 US claimed
EP-2944635-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-11-18 EP claimed
US-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 US disclosed
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 US disclosed
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 US disclosed
EP-2944635-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-11-18 EP disclosed
EP-2944635-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-11-18 EP 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-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF BRDT, MCL1, MGST3 RAB9A 4061/4885POLB 2715/4885NPBWR1 3574/4885

“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.