SCHEMBL5952416

SCHEMBL5952416

Nc1cn(C2CCCCO2)nc1-c1nc2cc(OC(F)F)ccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
ATR Q13535 1/20 0.32
KDM5B Q9UGL1 1/20 0.31
DGAT2 Q96PD7 2/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL5953369 0.88 JAK2 (0.39) ABL1ATRDGAT2
SCHEMBL5952661 0.85 ABL1 (0.35) ABL1KDM5BDYRK1A
SCHEMBL13374028 0.82 ABL1 (0.37) ABL1DGAT2DYRK1A
SCHEMBL5952803 0.80 ABL1 (0.36) ABL1DGAT2DYRK1A
SCHEMBL5952627 0.78 ABL1 (0.32) ABL1KDM5B
SCHEMBL5951727 0.76 EGLN1 (0.34) ABL1ATRKDM5B
SCHEMBL13375054 0.75 ABL1 (0.33) ABL1
SCHEMBL3924589 0.74 FGFR1 (0.38) ATR
SCHEMBL5952289 0.74 ATR (0.35) ABL1ATRKDM5B
SCHEMBL5952354 0.74 MAPT (0.37) ABL1KDM5B

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 8 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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
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 ABL1 55/4885ATR 1446/4885KDM5B 455/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ABL1 63/4885ATR 1799/4885KDM5B 668/4885

“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.