SCHEMBL4133772

SCHEMBL4133772

CCCN(CCC)C(=O)Nc1cn(C2CCCCO2)nc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.42
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
FLT3 P36888 3/20 0.40
TOP1 P11387 2/20 0.40
TOP2A P11388 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
SLCO2B1 O94956 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
BCL2L1 Q07817 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3922695 0.96 BRD4 (0.42) BRD4FGFR1FLT1FLT3TOP1
SCHEMBL4122430 0.91 BRD4 (0.42) BRD4FGFR1FLT1FLT3TOP1
SCHEMBL4133921 0.90 BRD4 (0.40) BRD4FGFR1FLT1FLT3TOP1
SCHEMBL3922614 0.89 BRD4 (0.43) BRD4FGFR1FLT1FLT3TOP1
SCHEMBL3926947 0.87 BRD4 (0.42) BRD4FGFR1FLT1FLT3TOP1
SCHEMBL4130211 0.83 SYK (0.37) FGFR1FLT3ALDH1A1
SCHEMBL3933668 0.81 SYK (0.36) FGFR1ALDH1A1
SCHEMBL3928037 0.81 FGFR1 (0.48) BRD4FGFR1FLT1FLT3TOP1
SCHEMBL3934079 0.79 FGFR1 (0.45) BRD4FGFR1FLT1FLT3TOP1
SCHEMBL18833327 0.79 ABL1 (0.33) BRD4

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 BRD4 582/4885FGFR1 2171/4885FLT1 1525/4885

“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.