SCHEMBL3923162

SCHEMBL3923162

CCN(CC)C(=O)Nc1cn(C2CCCCO2)nc1-c1nc2cc(F)c(OCCN3CCCCC3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
ITK Q08881 1/20 0.43
CHEK2 O96017 1/20 0.33
ABL1 P00519 1/20 0.32
ACHE P22303 3/20 0.32
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
RUNX1 Q01196 2/20 0.31
AKT1 P31749 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
INSR P06213 1/20 0.31
AXL P30530 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
SCHEMBL3923229 0.97 SYK (0.42) SYKITKCHEK2ABL1EPHX2
SCHEMBL3934547 0.94 ITK (0.46) SYKITKCHEK2ABL1EPHX2
SCHEMBL13374027 0.91 SYK (0.53) SYKITKABL1KDM4EALDH1A1
SCHEMBL3928248 0.90 SYK (0.44) SYKITKCHEK2ABL1AXL
SCHEMBL4129940 0.85 SYK (0.39) SYKITKCHEK2ABL1AXL
SCHEMBL18833146 0.84 SYK (0.38) SYKITKCHEK2ABL1AXL
SCHEMBL3922498 0.84 CHEK2 (0.41) CHEK2ACHERUNX1INSRAXL
SCHEMBL3929267 0.83 EPHX2 (0.35) SYKITKCHEK2ABL1EPHX2
SCHEMBL4130211 0.83 SYK (0.37) SYKITKABL1KDM4EALDH1A1
SCHEMBL13374026 0.83 HSD17B10 (0.39) SYKITKABL1ALDH1A1LMNA

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 SYK 392/4885ITK 1817/4885CHEK2 13/4885

“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.