SCHEMBL169757

SCHEMBL169757

C=CC(=O)N1CCCC(c2c(Cl)c(-c3ccc(Oc4cccc(Cl)c4)c(O)c3)c3c(N)ncnn23)C1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.85
EGFR P00533 6/20 0.45
ERBB2 P04626 1/20 0.40
NUDT5 Q9UKK9 1/20 0.40
TEC P42680 2/20 0.40
TXK P42681 1/20 0.40
BMX P51813 1/20 0.40
RIPK2 O43353 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
YES1 P07947 1/20 0.40
LYN P07948 1/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
CSK P41240 1/20 0.40
PTK6 Q13882 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
SCHEMBL122280 0.92 BTK (1.00) BTKEGFRTEC
SCHEMBL122566 0.88 BTK (0.94) BTKEGFR
SCHEMBL16440887 0.84 BTK (0.80) BTKEGFRERBB2BMXHCK
SCHEMBL16788366 0.84 BTK (0.86) BTKEGFRERBB2
SCHEMBL19986670 0.84 BTK (0.86) BTKEGFRERBB2
SCHEMBL19993798 0.83 BTK (1.00) BTKEGFRERBB2
SCHEMBL166896 0.83 BTK (1.00) BTKEGFRERBB2
SCHEMBL122059 0.83 BTK (0.83) BTKEGFRERBB2NUDT5TEC
SCHEMBL124069 0.82 BTK (0.81) BTKEGFRERBB2
SCHEMBL16332631 0.81 BTK (0.79) BTKEGFR

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
US-20160074409-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2016-03-17 US 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 4374/4885EGFR 4530/4885ERBB2 4444/4885
US-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 BTK 4374/4885EGFR 4530/4885ERBB2 4444/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 BTK 1/4885EGFR 3296/4885ERBB2 1075/4885

“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.