SCHEMBL4122430

SCHEMBL4122430

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.42
FGFR1 P11362 3/20 0.41
FLT1 P17948 1/20 0.41
TOP1 P11387 2/20 0.41
TOP2A P11388 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDPK1 O15530 2/20 0.40
FLT3 P36888 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL4133921 0.92 BRD4 (0.40) BRD4FGFR1FLT1TOP1TOP2A
SCHEMBL3922695 0.91 BRD4 (0.42) BRD4FGFR1FLT1TOP1TOP2A
SCHEMBL4133772 0.91 BRD4 (0.42) BRD4FGFR1FLT1TOP1TOP2A
SCHEMBL3926947 0.88 BRD4 (0.42) BRD4FGFR1FLT1TOP1TOP2A
SCHEMBL4124975 0.87 SRPK1 (0.36) FGFR1ALDH1A1KDM4EKDR
SCHEMBL3922614 0.86 BRD4 (0.43) BRD4FGFR1FLT1TOP1TOP2A
SCHEMBL4135329 0.85 SRPK1 (0.35) FGFR1ALDH1A1KDM4EKDR
SCHEMBL18833327 0.84 ABL1 (0.33) BRD4
SCHEMBL3935076 0.82 ITK (0.37) FGFR1PDPK1FLT3KDR
SCHEMBL3928037 0.81 FGFR1 (0.48) BRD4FGFR1FLT1TOP1TOP2A

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 3 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

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.