SCHEMBL5952622

SCHEMBL5952622

NC(=O)c1cn(C2CCCCO2)nc1-c1nc2cc3c(cc2[nH]1)CCC3

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.35
ABL1 P00519 1/20 0.35
CHEK2 O96017 10/20 0.33
BTK Q06187 2/20 0.33
KDM5B Q9UGL1 1/20 0.32
SYK P43405 1/20 0.31
LRRK2 Q5S007 1/20 0.31
TSSK3 Q96PN8 1/20 0.31
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
FLT3 P36888 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5952627 0.85 ABL1 (0.32) ABL1KDM5B
SCHEMBL5952359 0.82 PLG (0.34) ATRABL1CHEK2BTKKDM5B
SCHEMBL4124822 0.82 CSF1R (0.36) ATRABL1CHEK2PARP1PARP2
SCHEMBL5952646 0.81 ABL1 (0.33) ABL1KDM5B
SCHEMBL3928879 0.81 ATR (0.40) ATRABL1CHEK2SYKPARP1
SCHEMBL13374023 0.81 ABL1 (0.37) ABL1KDM5BKDM4ENPC1ALDH1A1
SCHEMBL5953369 0.81 JAK2 (0.39) ATRABL1CHEK2BTKSYK
SCHEMBL5952513 0.81 EGLN1 (0.37) ATRABL1CHEK2SYKPARP1
SCHEMBL4129276 0.80 CSF1R (0.34) ATRABL1CHEK2PARP1PARP2
SCHEMBL13374022 0.79 HRH4 (0.37) ATRABL1KDM5BSYKPARP1

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 ATR 1446/4885ABL1 55/4885CHEK2 239/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ATR 1799/4885ABL1 63/4885CHEK2 362/4885

“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.