SCHEMBL68684

SCHEMBL68684

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SPR P35270 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
PDE5A O76074 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 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
SCHEMBL91571 0.85 HTR1A (0.41) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL71000 0.85 HTR1A (0.39) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL69730 0.85 HTR1A (0.40) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL70516 0.84 HTR1A (0.39) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL70462 0.83 HTR1A (0.41) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL70671 0.80 TNKS (0.37) HTR1AHTR7TNKSTNKS2ALDH1A1
SCHEMBL15435583 0.80 HTR1A (0.37) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL69371 0.79 HTR1A (0.38) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL68426 0.79 HTR1A (0.34) HTR1AHTR7TNKSTNKS2SMN1; SMN2
SCHEMBL69752 0.79 HTR1A (0.34) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209791-B1 Heterocyclic derivatives MERCK SHARP & DOHME (NL) 2014-01-22 EP disclosed
US-8129397-B2 Substituted thieno[2,3-d]pyrimidines as AMPA modulators MSD OSS B.V. (US) 2012-03-06 US disclosed
WO-2009062930-A1 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-05-22 WO 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.