Sugi Predict

Sugi Predict / Compounds / SCHEMBL3931979

SCHEMBL3931979

SCHEMBL3931979

O=[N+]([O-])c1cn(C2CCCCO2)nc1-c1nc2cc(F)c(OCCCN3CCCCC3)cc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ATM Q13315 2/20 0.33
▸ MTOR P42345 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ MET P08581 4/20 0.32

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
SCHEMBL3925832 0.96 ALDH1A1 (0.34) ALDH1A1KDM4ECHEK2HTR1AMEN1
SCHEMBL3925803 0.96 ALDH1A1 (0.34) ALDH1A1KDM4EFGFR1FLT1CHEK2
SCHEMBL3925547 0.88 EGFR (0.38) CHEK2ATMMTORAXL
SCHEMBL3925039 0.88 FGFR1 (0.36) FGFR1FLT1CHEK2HRH3HTR1A
SCHEMBL13373566 0.87 SYK (0.35) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL3922503 0.84 RUNX1 (0.36) FGFR1FLT1CHEK2AXLKDR
SCHEMBL3934575 0.83 SPIN1 (0.35) ALDH1A1KDM4EFGFR1FLT1CHEK2
SCHEMBL3922498 0.82 CHEK2 (0.41) CHEK2AXL
SCHEMBL3935957 0.81 CHEK2 (0.40) ALDH1A1KDM4EFGFR1FLT1CHEK2
SCHEMBL3923229 0.81 SYK (0.42) ALDH1A1KDM4EFGFR1FLT1CHEK2

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 874/4885KDM4E 1847/4885FGFR1 2171/4885

“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.