SCHEMBL176919

SCHEMBL176919

COc1cc(-c2c(CC(=O)O)c(C3CCCC3)n3ncnc(N)c23)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.66
TNK2 Q07912 8/20 0.49
PIK3CD O00329 1/20 0.38
ACVRL1 P37023 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
SCHEMBL123306 0.93 BTK (0.64) BTKTNK2PIK3CDACVRL1
SCHEMBL167469 0.89 BTK (0.64) BTKTNK2ACVRL1
SCHEMBL124952 0.86 BTK (0.66) BTKTNK2PIK3CD
SCHEMBL124951 0.86 BTK (0.66) BTKTNK2PIK3CD
SCHEMBL170106 0.84 BTK (0.57) BTKTNK2PIK3CDACVRL1
SCHEMBL123385 0.83 BTK (0.65) BTKTNK2
SCHEMBL122924 0.83 BTK (0.61) BTKTNK2PIK3CD
SCHEMBL12100517 0.83 BTK (0.61) BTKTNK2
SCHEMBL123807 0.83 BTK (0.56) BTKTNK2PIK3CD
SCHEMBL124181 0.83 BTK (0.82) 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 10 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
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-20140357636-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2014-12-04 US 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 (3 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 1030/4885PIK3CD 2190/4885
US-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 BTK 4374/4885TNK2 1030/4885PIK3CD 2190/4885
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.