SCHEMBL6207910

SCHEMBL6207910

CC1CCN(c2c(-c3c(F)cc(F)cc3F)c(Cl)nc3nc(S(C)(=O)=O)nn23)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
RIPK1 Q13546 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KCNH2 Q12809 1/20 0.31
HSD11B1 P28845 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
SCHEMBL4639035 0.84 GRM5 (0.34) GRM5ALDH1A1HTTKCNH2
SCHEMBL6207550 0.83 GRM5 (0.33) GRM5ALDH1A1KCNH2
SCHEMBL5955395 0.81 GRM5 (0.34) GRM5
SCHEMBL81282 0.79 TSHR (0.41) ALDH1A1
SCHEMBL6207239 0.75 ABCB1 (0.42) ALDH1A1
SCHEMBL15825668 0.75 PDE2A (0.37) ALDH1A1
SCHEMBL5250886 0.75 GRM5 (0.34) GRM5ALDH1A1HTT
SCHEMBL20439999 0.74 EGLN2 (0.42) ALDH1A1
SCHEMBL28957525 0.74
SCHEMBL1691946 0.72 GRM5 (0.40) GRM5ALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272748-A1 2-Mercapto-substituted triazolopyrimidines, methods for the production thereof, the use of the same for controlling patogenic fungi, and agents containing said compounds BASF AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
EP-1575957-A1 2-MERCAPTO-SUBSTITUTED TRIAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, THE USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI, AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2005-09-21 EP disclosed
WO-2004046149-A1 2-MERCAPTO-SUBSTITUTED TRIAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, THE USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI, AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-06-03 WO 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-20050272748-A1 2-Mercapto-substituted triazolopyrimidines, methods for the production thereof, the use of the same for controlling patogenic fungi, and agents containing said compounds NAT1, PNPO, CBR1 GRM5 3746/4885RIPK1 4410/4885ALDH1A1 1679/4885

“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.