Sugi Predict

Sugi Predict / Compounds / SCHEMBL70474

SCHEMBL70474

SCHEMBL70474

Cc1cc2c(=O)[nH]c(Cn3cc(CO)c(C(F)(F)F)c3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ TNKS O95271 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ GRIA2 P42262 1/20 0.36
▸ SPR P35270 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 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
SCHEMBL69730 0.81 HTR1A (0.40) HTR1AHTR7TNKSTNKS2GRIA2
SCHEMBL84977 0.77 HTR1A (0.41) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL70462 0.75 HTR1A (0.41) HTR1AHTR7TNKSTNKS2GRIA2
SCHEMBL70516 0.74 HTR1A (0.39) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL13847255 0.72 GRIA2 (0.39) GRIA2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL68684 0.71 HTR1A (0.40) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL85057 0.71 HTR1A (0.40) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL71000 0.71 HTR1A (0.39) HTR1AHTR7TNKSTNKS2SPR
SCHEMBL15435583 0.71 HTR1A (0.37) HTR1AHTR7TNKSTNKS2GRIA2
SCHEMBL20668053 0.69 ALDH1A1 (0.56) 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 9 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
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
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.