SCHEMBL169898

SCHEMBL169898

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.51
TNK2 Q07912 6/20 0.41
ACVRL1 P37023 1/20 0.37
RIPK1 Q13546 1/20 0.37
FFAR1 O14842 1/20 0.34
FGFR1 P11362 2/20 0.34
FGFR3 P22607 2/20 0.34
DHFR P00374 2/20 0.34
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
PIK3CD O00329 2/20 0.33

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
SCHEMBL122380 0.87 BTK (0.53) BTKTNK2RIPK1FFAR1DHFR
SCHEMBL125087 0.86 BTK (0.53) BTKTNK2RIPK1FFAR1DHFR
SCHEMBL124242 0.86 BTK (0.53) BTKTNK2RIPK1FFAR1FGFR1
SCHEMBL170174 0.85 BTK (0.52) BTKTNK2RIPK1FFAR1DHFR
SCHEMBL167019 0.85 BTK (0.54) BTKTNK2RIPK1FFAR1FGFR1
SCHEMBL169188 0.85 BTK (0.52) BTKTNK2RIPK1FFAR1PIK3CD
SCHEMBL123385 0.84 BTK (0.65) BTKTNK2RIPK1
SCHEMBL167427 0.84 BTK (0.51) BTKTNK2RIPK1FFAR1DHFR
SCHEMBL169712 0.83 BTK (0.50) BTKTNK2RIPK1FFAR1DHFR
SCHEMBL169039 0.83 BTK (0.50) BTKTNK2ACVRL1RIPK1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO claimed
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 (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-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 BTK 4374/4885TNK2 1030/4885ACVRL1 1899/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 BTK 1/4885TNK2 511/4885ACVRL1 2567/4885

“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.