SCHEMBL5952289

SCHEMBL5952289

CCOc1cc2nc(-c3nn(C4CCCCO4)cc3N)[nH]c2cc1CC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
ABL1 P00519 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PLG P00747 4/20 0.31
PLAU P00749 4/20 0.31
F10 P00742 3/20 0.31
F2 P00734 2/20 0.31
PLAT P00750 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE7A Q13946 1/20 0.31
GCK P35557 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
SCHEMBL5951727 0.89 EGLN1 (0.34) ATRKDM5BABL1POLBALDH1A1
SCHEMBL5952359 0.88 PLG (0.34) ATRKDM5BABL1POLBPLG
SCHEMBL5952614 0.86 MAPT (0.34) ATRKDM5BABL1POLBALDH1A1
SCHEMBL13375040 0.84 ABL1 (0.34) KDM5BABL1
SCHEMBL6697073 0.84 ALDH1A1 (0.43) ABL1POLBALDH1A1NPC1MAPT
SCHEMBL5952627 0.80 ABL1 (0.32) KDM5BABL1
SCHEMBL5952513 0.78 EGLN1 (0.37) ATRABL1PLGPLAUF10
SCHEMBL13375054 0.78 ABL1 (0.33) ABL1PLGPLAUF10F2
SCHEMBL3926435 0.78 CHEK2 (0.32) PLGPLAUF10F2PLAT
SCHEMBL3934575 0.77 SPIN1 (0.35) ALDH1A1PLGPLAUF10F2

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 7 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-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 ATR 1446/4885KDM5B 455/4885ABL1 55/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ATR 1799/4885KDM5B 668/4885ABL1 63/4885

“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.