SCHEMBL84977

SCHEMBL84977

Cc1cc2c(=O)[nH]c(Cn3cc(CO)c(F)n3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
PDE5A O76074 1/20 0.33
SPR P35270 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 3/20 0.31
TMIGD3 P0DMS9 1/20 0.31
MAPT P10636 2/20 0.31
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 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
SCHEMBL84513 0.89 HTR1A (0.41) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL69730 0.87 HTR1A (0.40) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL85057 0.83 HTR1A (0.40) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL70462 0.81 HTR1A (0.41) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL91609 0.79 HTR1A (0.40) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL70474 0.77 HTR1A (0.40) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL15435583 0.76 HTR1A (0.37) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL70516 0.76 HTR1A (0.39) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL68684 0.75 HTR1A (0.40) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL71000 0.75 HTR1A (0.39) HTR1AHTR7TNKSTNKS2ALDH1A1

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.