SCHEMBL13609869

SCHEMBL13609869

Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCC4CCCC4)cc3)nnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YES1 P07947 6/20 1.00
PDGFRB P09619 6/20 1.00
EPHB4 P54760 4/20 1.00
SRC P12931 19/20 0.72
ABL1 P00519 3/20 0.72
LCK P06239 3/20 0.72
LYN P07948 3/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2D6 P10635 2/20 0.72
CYP2C19 P33261 2/20 0.72
KDR P35968 2/20 0.72
EGFR P00533 1/20 0.72
RAF1 P04049 1/20 0.72
FYN P06241 1/20 0.72
FGFR1 P11362 1/20 0.72
RPS6KB1 P23443 1/20 0.72
CSK P41240 1/20 0.72
BLK P51451 1/20 0.72
MAP2K1 Q02750 1/20 0.72
TEK Q02763 1/20 0.72

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
SCHEMBL13609488 0.93 PDGFRB (0.87) YES1PDGFRBEPHB4SRCABL1
SCHEMBL4269573 0.84 SRC (1.00) YES1PDGFRBEPHB4SRCABL1
SCHEMBL4264223 0.83 SRC (1.00) YES1PDGFRBEPHB4SRCABL1
SCHEMBL4265763 0.83 SRC (1.00) YES1PDGFRBEPHB4SRCABL1
SCHEMBL4273044 0.81 SRC (1.00) YES1PDGFRBEPHB4SRCABL1
SCHEMBL4265948 0.81 SRC (1.00) YES1PDGFRBEPHB4SRCABL1
SCHEMBL4264260 0.80 SRC (1.00) YES1PDGFRBEPHB4SRCABL1
SCHEMBL4266662 0.80 SRC (1.00) YES1PDGFRBEPHB4SRCABL1
SCHEMBL4272220 0.80 SRC (1.00) YES1PDGFRBEPHB4SRCABL1
SCHEMBL15683076 0.79 SRC (0.85) YES1PDGFRBEPHB4SRCABL1

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-8481536-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2013-07-09 US disclosed
US-8481536-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2013-07-09 US disclosed
US-20110294796-A1 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-12-01 US disclosed
US-20110294796-A1 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-12-01 US disclosed
US-20090275569-A1 Benzotriazine Inhibitors of Kinases TARGEGEN, INC. 2009-11-05 US disclosed
US-20090275569-A1 Benzotriazine Inhibitors of Kinases TARGEGEN, INC. 2009-11-05 US disclosed
US-7456176-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2008-11-25 US disclosed
US-7456176-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2008-11-25 US 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-20110294796-A1 BENZOTRIAZINE INHIBITORS OF KINASES SRC, CAMK4, CAMK2G YES1 237/4885PDGFRB 221/4885EPHB4 2376/4885
US-20090275569-A1 Benzotriazine Inhibitors of Kinases SRC, CAMK4, CAMK2G YES1 237/4885PDGFRB 221/4885EPHB4 2376/4885

“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.