SCHEMBL6207239

SCHEMBL6207239

CC1CCN(c2c(-c3c(F)cc(F)cc3F)c(Cl)nc3nc(SCc4ccccc4)nn23)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.42
LMNA P02545 2/20 0.42
KDM1A O60341 5/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CKS1B P61024 3/20 0.38
SKP2 Q13309 3/20 0.38

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
SCHEMBL6206302 0.81 ABCB1 (0.48) ABCB1LMNAKDM1AALDH1A1NPC1
SCHEMBL4639035 0.79 GRM5 (0.34) ALDH1A1
SCHEMBL6207550 0.78 GRM5 (0.33) ALDH1A1
SCHEMBL5746574 0.76 KDM4E (0.33) ALDH1A1
SCHEMBL5955395 0.76 GRM5 (0.34)
SCHEMBL6207910 0.75 GRM5 (0.37) ALDH1A1
SCHEMBL81282 0.74 TSHR (0.41) LMNAALDH1A1
SCHEMBL4814547 0.71 TRPV1 (0.35) LMNAALDH1A1NPC1RAB9A
SCHEMBL6208843 0.71 ABCB1 (0.48) ABCB1LMNAKDM1AALDH1A1NPC1
SCHEMBL5250886 0.70 GRM5 (0.34) ALDH1A1

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 ABCB1 2151/4885LMNA 2733/4885KDM1A 1457/4885

“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.