SCHEMBL167364

SCHEMBL167364

COc1cc(-c2c(C3CCOCC3)c(C3CCCC3)n3ncnc(N)c23)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.52
TNK2 Q07912 9/20 0.45
PIK3CD O00329 5/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CG P48736 2/20 0.39
RIPK1 Q13546 2/20 0.36
PLA2G7 Q13093 1/20 0.34

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
SCHEMBL169600 0.90 BTK (0.53) BTKTNK2PIK3CDPIK3CAPIK3CG
SCHEMBL169601 0.90 BTK (0.53) BTKTNK2PIK3CDPIK3CAPIK3CG
SCHEMBL170027 0.86 BTK (0.61) BTKTNK2PIK3CDPIK3CAPIK3CG
SCHEMBL169823 0.83 BTK (0.61) BTKTNK2
SCHEMBL122913 0.82 BTK (0.60) BTKTNK2
SCHEMBL124219 0.82 BTK (0.49) BTKTNK2PIK3CD
SCHEMBL12100517 0.81 BTK (0.61) BTKTNK2
SCHEMBL122924 0.81 BTK (0.61) BTKTNK2PIK3CDPIK3CAPIK3CG
SCHEMBL122300 0.78 BTK (0.61) BTKTNK2
SCHEMBL123116 0.77 BTK (0.58) BTKTNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BTK 1/4885TNK2 511/4885PIK3CD 426/4885

“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.