SCHEMBL6208843

SCHEMBL6208843

Oc1nc2nc(SCc3ccccc3)nn2c(O)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM1A O60341 5/20 0.46
CKS1B P61024 4/20 0.43
SKP2 Q13309 4/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.41

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 0.80 ABCB1 (0.48) ABCB1ALDH1A1KDM1ACKS1BSKP2
SCHEMBL5744859 0.78 KDM4E (0.36) ALDH1A1
SCHEMBL9831964 0.77 ALDH1A1 (0.56) ABCB1ALDH1A1KDM1ACKS1BSKP2
SCHEMBL9830879 0.72 ALDH1A1 (0.55) ABCB1ALDH1A1KDM1ACKS1BSKP2
SCHEMBL9376692 0.72 ALDH1A1 (0.52) ABCB1ALDH1A1KDM1ACKS1BSKP2
SCHEMBL6207239 0.71 ABCB1 (0.42) ABCB1ALDH1A1KDM1ACKS1BSKP2
SCHEMBL9831763 0.71 ALDH1A1 (0.57) ABCB1ALDH1A1KDM1ACKS1BSKP2
SCHEMBL9831482 0.70 LMNA (0.59) ABCB1ALDH1A1KDM1ACKS1BSKP2
SCHEMBL5230309 0.70 DHODH (0.38) ALDH1A1
SCHEMBL9831286 0.67 LMNA (0.75) ABCB1ALDH1A1KDM1ACKS1BSKP2

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 2151/4885ALDH1A1 1679/4885KDM1A 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.