SCHEMBL2016326

SCHEMBL2016326

CS(=O)(=O)c1ccc(-c2nnc3ncc(-c4ccccc4Oc4ccccc4)cn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.60
DRD1 P21728 1/20 0.42
HSD11B1 P28845 1/20 0.42
BRD4 O60885 5/20 0.41
PTGS1 P23219 4/20 0.38
GRM5 P41594 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL2015408 0.87 PTGS2 (0.43) PTGS2HSD11B1PTGS1KCNH2
SCHEMBL2025893 0.83 GRM5 (0.39) PTGS2BRD4GRM5
SCHEMBL2025519 0.79 HSD11B1 (0.42) PTGS2HSD11B1PTGS1KCNH2
SCHEMBL3246596 0.77 PTGS2 (1.00) PTGS2DRD1BRD4PTGS1
SCHEMBL12575453 0.73 PTGS2 (0.46) PTGS2HSD11B1PTGS1KCNH2
SCHEMBL1676179 0.72 PTGS2 (0.88) PTGS2DRD1PTGS1SCN9A
SCHEMBL2018913 0.70 TNK2 (0.46) GRM5
SCHEMBL8484099 0.69 PTGS2 (0.81) PTGS2DRD1PTGS1
SCHEMBL2020736 0.68 MET (0.54) GRM5
SCHEMBL25430418 0.65 PTGS2 (0.72) PTGS2DRD1PTGS1

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 1375/4885DRD1 3995/4885HSD11B1 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.