SCHEMBL70671

SCHEMBL70671

CC(=O)NCc1cn(Cc2nc3sc(C)cc3c(=O)[nH]2)nc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
SPR P35270 1/20 0.34
KLKB1 P03952 12/20 0.34
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL85528 0.88 TNKS (0.40) TNKSTNKS2HTR1AHTR7SPR
SCHEMBL15435583 0.88 HTR1A (0.37) TNKSTNKS2HTR1AHTR7SPR
SCHEMBL69730 0.87 HTR1A (0.40) TNKSTNKS2HTR1AHTR7SPR
SCHEMBL70462 0.85 HTR1A (0.41) TNKSTNKS2HTR1AHTR7SPR
SCHEMBL69752 0.82 HTR1A (0.34) TNKSTNKS2HTR1AHTR7SPR
SCHEMBL68426 0.82 HTR1A (0.34) TNKSTNKS2HTR1AHTR7SPR
SCHEMBL70516 0.81 HTR1A (0.39) TNKSTNKS2HTR1AHTR7SPR
SCHEMBL68684 0.80 HTR1A (0.40) TNKSTNKS2HTR1AHTR7SPR
SCHEMBL69946 0.80 ALDH1A1 (0.42) TNKSTNKS2HTR1AHTR7ALDH1A1
SCHEMBL71000 0.80 HTR1A (0.39) TNKSTNKS2HTR1AHTR7SPR

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 7 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
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
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
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 TNKS 4316/4885TNKS2 4553/4885HTR1A 135/4885

“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.