SCHEMBL122485

SCHEMBL122485

COC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn2c1-c1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
ROCK2 O75116 1/20 0.54
PAK4 O96013 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 1/20 0.54
NTRK1 P04629 1/20 0.54
INSR P06213 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
CSF1R P07333 1/20 0.54
LYN P07948 1/20 0.54
IGF1R P08069 1/20 0.54
MET P08581 1/20 0.54
KIT P10721 1/20 0.54
PIM1 P11309 1/20 0.54
FGFR1 P11362 1/20 0.54
SRC P12931 1/20 0.54
FLT1 P17948 1/20 0.54

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
SCHEMBL121848 0.93 TNK2 (0.49) PLK4AURKADAPK3ROCK2PAK4
SCHEMBL123357 0.84 TNK2 (0.52) ABL1SRCTNK2PTGS2MAPT
SCHEMBL170006 0.83 TNK2 (0.46) PLK4AURKADAPK3ROCK2PAK4
SCHEMBL122931 0.83 TNK2 (0.46) PLK4AURKADAPK3ROCK2PAK4
SCHEMBL122930 0.83 TNK2 (0.46) PLK4AURKADAPK3ROCK2PAK4
SCHEMBL123048 0.77 TNK2 (0.46) ABL1LCKSRCTNK2EGFR
SCHEMBL122840 0.77 TNK2 (0.47) SRCKDRTNK2MAPTTDP1
SCHEMBL3803716 0.75 TNK2 (0.45) LCKKDRTNK2ALDH1A1
SCHEMBL123811 0.75 TNK2 (0.45) TNK2TP53ALDH1A1LMNAHSD17B10
SCHEMBL169876 0.72 TNK2 (0.44) PLK4AURKADAPK3ROCK2PAK4

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
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
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 PLK4 3136/4885AURKA 4638/4885DAPK3 2628/4885
US-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 PLK4 3136/4885AURKA 4638/4885DAPK3 2628/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 PLK4 689/4885AURKA 1650/4885DAPK3 291/4885

“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.