SCHEMBL69775

SCHEMBL69775

Cc1cc2c(=O)[nH]c(Cn3cc(CCn4ccnc4)c(C(F)(F)F)n3)nc2s1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
CYP19A1 P11511 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
LMNA P02545 1/20 0.31
CRHR1 P34998 1/20 0.31
TBXAS1 P24557 1/20 0.30
SPR P35270 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
SCHEMBL84507 0.89 HTR1A (0.42) HTR1AHTR7CYP19A1TNKSTNKS2
SCHEMBL70462 0.84 HTR1A (0.41) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL69730 0.82 HTR1A (0.40) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL15435583 0.78 HTR1A (0.37) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL68684 0.78 HTR1A (0.40) HTR1AHTR7TNKSTNKS2LMNA
SCHEMBL68427 0.77 HTR1A (0.34) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL68426 0.76 HTR1A (0.34) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL69752 0.76 HTR1A (0.34) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL70516 0.76 HTR1A (0.39) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL69946 0.76 ALDH1A1 (0.42) HTR1AHTR7TNKSTNKS2LMNA

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 HTR1A 135/4885HTR7 124/4885CYP19A1 1451/4885

“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.