SCHEMBL2015408

SCHEMBL2015408

CS(=O)(=O)c1ccc(-c2nnc3ncc(-c4ccc(Oc5ccccc5)cc4)cn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.43
PTGS1 P23219 3/20 0.40
HSD11B1 P28845 1/20 0.40
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.39
FYN P06241 2/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 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
SCHEMBL12575453 0.83 PTGS2 (0.46) PTGS2PTGS1HSD11B1KCNH2HTT
SCHEMBL2018913 0.82 TNK2 (0.46) HTTFYN
SCHEMBL2025519 0.78 HSD11B1 (0.42) PTGS2PTGS1HSD11B1KCNH2MAOB
SCHEMBL2020736 0.76 MET (0.54) SMN1; SMN2
SCHEMBL937686 0.74 TNK2 (0.44) HTTSMN1; SMN2FYN
SCHEMBL1676176 0.73 PTGS2 (0.63) PTGS2PTGS1HTTSMN1; SMN2BCL2L1
SCHEMBL7359540 0.71 SOS1 (0.64) PTGS2PTGS1HTTSMN1; SMN2
SCHEMBL8941654 0.70 PTGS2 (0.56) PTGS2PTGS1HTTSMN1; SMN2
SCHEMBL937271 0.70 HPGD (0.48) PTGS2KCNH2HTTSMN1; SMN2
SCHEMBL2016682 0.68 GRM5 (0.46) SMN1; SMN2FYN

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
US-8343977-B2 Substituted triazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343977-B2 Substituted triazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343977-B2 Substituted triazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
WO-2011082271-A2 SUBSTITUTED TRIAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160226-A1 Substituted Triazolo-Pyrimidine Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160226-A1 Substituted Triazolo-Pyrimidine Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160226-A1 Substituted Triazolo-Pyrimidine Compounds ARQULE, INC. (US) 2011-06-30 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-20110160226-A1 Substituted Triazolo-Pyrimidine Compounds TYMP, TK1, DPYD PTGS2 1375/4885PTGS1 1087/4885HSD11B1 2872/4885

“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.