SCHEMBL10140839

SCHEMBL10140839

NCc1ccc2nc(C3=C(O)C(c4ccccc4)=NC3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 7/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
RCE1 Q9Y256 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
PLAU P00749 2/20 0.41
PRSS1 P07477 2/20 0.41
NPBWR1 P48145 3/20 0.41
NT5E P21589 1/20 0.40

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
SCHEMBL10140086 0.81 PLAU (0.67) CHEK2PLAUPRSS1F2F9
SCHEMBL10140363 0.80 CHEK2 (0.41) CHEK2KDM4EALDH1A1MAPTHPGD
SCHEMBL10140070 0.78 PLAU (0.49) CHEK2PLAUPRSS1HDAC6F2
SCHEMBL10140089 0.77 PLAU (0.48) CHEK2PLAUPRSS1HDAC6F2
SCHEMBL7974859 0.72 F9 (0.68) CHEK2KDM4EALDH1A1MAPTHPGD
SCHEMBL10139913 0.70 F9 (0.43) CHEK2KDM4EALDH1A1MAPTHPGD
SCHEMBL4703271 0.69 NPC1 (0.66) CHEK2KDM4EALDH1A1MAPTHPGD
SCHEMBL10140068 0.69 F10 (0.41) CHEK2KDM4EALDH1A1MAPTHPGD
SCHEMBL2617470 0.69 CBFB (0.66) CHEK2KDM4EALDH1A1MAPTHPGD
SCHEMBL23119341 0.68 NT5E (0.72) CHEK2KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 CHEK2 4794/4885KDM4E 1387/4885ALDH1A1 1022/4885

“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.