SCHEMBL91571

SCHEMBL91571

Cc1cc2c(=O)[nH]c(Cn3cc(C=O)c(CF)n3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE5A O76074 1/20 0.33
TMIGD3 P0DMS9 2/20 0.32
ADORA1 P30542 1/20 0.32
SPR P35270 1/20 0.32
RAB9A P51151 4/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
DUSP3 P51452 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL91609 0.85 HTR1A (0.40) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL68684 0.85 HTR1A (0.40) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL92556 0.81 TNKS (0.37) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL10051494 0.77 ALDH1A1 (0.43) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL85057 0.77 HTR1A (0.40) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL84977 0.77 HTR1A (0.41) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL84513 0.77 HTR1A (0.41) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL70516 0.76 HTR1A (0.39) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL69730 0.74 HTR1A (0.40) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL70462 0.73 HTR1A (0.41) HTR1AHTR7TNKSTNKS2SMN1; SMN2

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-8129397-B2 Substituted thieno[2,3-d]pyrimidines as AMPA modulators MSD OSS B.V. (US) 2012-03-06 US disclosed
US-20090131455-A1 HETEROCYCLIC DERIVATIVES N.V. ORGANON 2009-05-21 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-20090131455-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIK5, GRIN1 HTR1A 135/4885HTR7 124/4885TNKS 4316/4885

“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.