SCHEMBL124691

SCHEMBL124691

COc1cc(-c2c(CCC(=O)O)c(-c3ccc(NS(C)(=O)=O)cc3)n3ncnc(N)c23)ccc1Oc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.48
TNK2 Q07912 2/20 0.39
RIPK1 Q13546 1/20 0.36
P2RX4 Q99571 3/20 0.36
EGFR P00533 3/20 0.35
ERBB2 P04626 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
FYN P06241 2/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
ROCK2 O75116 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 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
SCHEMBL169712 0.91 BTK (0.50) BTKTNK2RIPK1P2RX4PTGDR2
SCHEMBL122380 0.91 BTK (0.53) BTKTNK2RIPK1FYNDHFR
SCHEMBL125087 0.90 BTK (0.53) BTKTNK2RIPK1FYNDHFR
SCHEMBL122657 0.89 BTK (0.48) BTKTNK2RIPK1EGFRERBB2
SCHEMBL169188 0.89 BTK (0.52) BTKTNK2RIPK1PIK3CD
SCHEMBL170174 0.88 BTK (0.52) BTKTNK2RIPK1FYNDHFR
SCHEMBL167427 0.86 BTK (0.51) BTKTNK2RIPK1FYNDHFR
SCHEMBL169866 0.86 BTK (0.50) BTKTNK2RIPK1FYNKDR
SCHEMBL169039 0.84 BTK (0.50) BTKTNK2RIPK1FYNPIK3CD
SCHEMBL169241 0.84 BTK (0.51) BTKTNK2RIPK1FYNFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 EP claimed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US claimed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US claimed
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP claimed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO claimed
US-20160074409-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2016-03-17 US disclosed
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 (2 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-20160074409-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 BTK 4374/4885TNK2 1030/4885RIPK1 4329/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 BTK 1/4885TNK2 511/4885RIPK1 624/4885

“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.