SCHEMBL121871

SCHEMBL121871

COc1cc(B(O)O)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.50
SLC6A4 P31645 16/20 0.50
KCNH2 Q12809 14/20 0.50
ENPP2 Q13822 3/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSP90AA1 P07900 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL123959 0.81 ENPP2 (0.49) HTR2ASLC6A4KCNH2ENPP2SLC6A2
SCHEMBL12260881 0.80 ENPP2 (0.52) HTR2ASLC6A4KCNH2ENPP2CA1
SCHEMBL30760847 0.80 AR (0.55) ENPP2CA1CA2
SCHEMBL1018126 0.79 ENPP2 (0.49) ENPP2CA1CA2
SCHEMBL29427068 0.79 ENPP2 (0.49) ENPP2CA1CA2
SCHEMBL15155925 0.78 TTR (0.58) ENPP2CA1CA2
SCHEMBL10269952 0.77 CA1 (0.57) ENPP2CA1CA2HSP90AA1
SCHEMBL13860477 0.77 HTR2A (0.54) HTR2ASLC6A4KCNH2HSP90AA1SLC6A2
SCHEMBL13857896 0.77 HTR2A (0.61) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL23114 0.77 ENPP2 (0.52) ENPP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 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-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 HTR2A 4693/4885SLC6A4 4378/4885KCNH2 1010/4885

“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.