SCHEMBL121872

SCHEMBL121872

NNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn2c1C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 12/20 0.53
LCK P06239 5/20 0.46
KDR P35968 5/20 0.46
TEK Q02763 4/20 0.46
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
ROCK2 O75116 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 1/20 0.44
INSR P06213 1/20 0.44
FYN P06241 1/20 0.44
CSF1R P07333 1/20 0.44
LYN P07948 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
KIT P10721 1/20 0.44
PIM1 P11309 1/20 0.44

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
SCHEMBL122977 0.92 TNK2 (0.51) TNK2LCKKDRTEKPLK4
SCHEMBL120357 0.91 TNK2 (0.56) TNK2LCKKDRTEKPLK4
SCHEMBL166854 0.91 TNK2 (0.51) TNK2LCKKDRTEKPLK4
SCHEMBL167418 0.90 TNK2 (0.56) TNK2LCKKDRTEKPLK4
SCHEMBL170104 0.89 TNK2 (0.49) TNK2LCKKDRTEKPLK4
SCHEMBL16267032 0.88 TNK2 (0.49) TNK2LCKKDRTEKPLK4
SCHEMBL123328 0.88 TNK2 (0.54) TNK2LCKKDRTEKPLK4
SCHEMBL167727 0.87 TNK2 (0.47) TNK2LCKKDRTEKPLK4
SCHEMBL169160 0.86 TNK2 (0.47) TNK2LCKKDRTEKPLK4
SCHEMBL120665 0.84 TNK2 (0.53) TNK2LCKKDRTEK

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 7 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-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 TNK2 1030/4885LCK 4767/4885KDR 4670/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 TNK2 511/4885LCK 7/4885KDR 2377/4885

“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.