SCHEMBL3935602

SCHEMBL3935602

CN(C)CCCOc1cc2[nH]c(-c3nn(C4CCCCO4)cc3NC(=O)N3CCOCC3)nc2cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.34
ITK Q08881 3/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ABL1 P00519 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SYK P43405 1/20 0.31
EPHX2 P34913 1/20 0.31
ATR Q13535 1/20 0.31
MTOR P42345 3/20 0.31
ATM Q13315 3/20 0.31
PIK3CA P42336 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX3 P56373 1/20 0.31
AURKA O14965 2/20 0.31
CDK1 P06493 2/20 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
SCHEMBL3928475 0.96 ABL1 (0.34) FLT3ITKLMNATP53MAPT
SCHEMBL13737034 0.95 ABL1 (0.34) FLT3ITKLMNATP53MAPT
SCHEMBL18833302 0.95 ABL1 (0.34) FLT3ITKLMNATP53MAPT
SCHEMBL4004619 0.94 LMNA (0.32) FLT3ITKLMNATP53MAPT
SCHEMBL4145655 0.91 SCN9A (0.36) ATR
SCHEMBL5952165 0.91 HSD17B10 (0.39) ITKLMNATP53MAPTHTT
SCHEMBL4129683 0.89 SYK (0.34) FLT3ITKABL1SYKATM
SCHEMBL3928248 0.88 SYK (0.44) ITKABL1SYKATM
SCHEMBL4129592 0.88 AURKA (0.35) FLT3ITKABL1SYKEPHX2
SCHEMBL18833146 0.88 SYK (0.38) ITKABL1SYKATM

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 FLT3 30/4885ITK 1817/4885LMNA 2583/4885

“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.