SCHEMBL5953369

SCHEMBL5953369

NC(=O)c1cn(C2CCCCO2)nc1-c1nc2cc(OC(F)F)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.39
JAK1 P23458 8/20 0.39
BTK Q06187 2/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
KCNH2 Q12809 1/20 0.37
ABL1 P00519 1/20 0.36
CHEK2 O96017 6/20 0.33
ATR Q13535 1/20 0.33
SYK P43405 1/20 0.32
LRRK2 Q5S007 1/20 0.32
TSSK3 Q96PN8 1/20 0.32
DGAT2 Q96PD7 1/20 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
SCHEMBL5952416 0.88 ABL1 (0.34) ABL1ATRDGAT2
SCHEMBL5952661 0.84 ABL1 (0.35) ABL1CHEK2SYK
SCHEMBL13374028 0.82 ABL1 (0.37) ABL1DGAT2
SCHEMBL5952803 0.81 ABL1 (0.36) ABL1SYKDGAT2
SCHEMBL5952622 0.81 ATR (0.35) BTKABL1CHEK2ATRSYK
SCHEMBL5952513 0.78 EGLN1 (0.37) KCNH2ABL1CHEK2ATRSYK
SCHEMBL5952359 0.78 PLG (0.34) BTKKCNH2ABL1CHEK2ATR
SCHEMBL3928879 0.77 ATR (0.40) ABL1CHEK2ATRSYK
SCHEMBL4124822 0.76 CSF1R (0.36) ABL1CHEK2ATR
SCHEMBL3922498 0.75 CHEK2 (0.41) JAK2JAK1CHEK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 JAK2 145/4885JAK1 72/4885BTK 29/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A JAK2 156/4885JAK1 14/4885BTK 29/4885

“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.