SCHEMBL3925832

SCHEMBL3925832

O=[N+]([O-])c1cn(C2CCCCO2)nc1-c1nc2cc(F)c(OCCN3CCCCC3)cc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
RUNX1 Q01196 2/20 0.34
ACHE P22303 6/20 0.34
CHEK2 O96017 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
KDM4E B2RXH2 3/20 0.31
HTT P42858 1/20 0.31
LTA4H P09960 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HTR2C P28335 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
EGFR P00533 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3931979 0.96 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNACHEK2
SCHEMBL3925803 0.94 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ALMNACHEK2
SCHEMBL13373566 0.88 SYK (0.35) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL3922503 0.87 RUNX1 (0.36) RUNX1ACHECHEK2HTR2C
SCHEMBL3925547 0.87 EGFR (0.38) CHEK2EGFR
SCHEMBL3922498 0.85 CHEK2 (0.41) RUNX1ACHECHEK2TBK1
SCHEMBL3925039 0.84 FGFR1 (0.36) RUNX1ACHECHEK2HTR1A
SCHEMBL3923162 0.81 SYK (0.43) ALDH1A1LMNARUNX1ACHECHEK2
SCHEMBL3934575 0.81 SPIN1 (0.35) ALDH1A1MEN1KMT2ARUNX1ACHE
SCHEMBL13375334 0.80 ABL1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 EP disclosed
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 US disclosed
EP-2041119-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2009-04-01 EP disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 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-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF RB1, CCNI, CDK2 ALDH1A1 874/4885MEN1 1043/4885KMT2A 2623/4885

“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.