SCHEMBL169911

SCHEMBL169911

Nc1ncnn2c(C3CCOCC3)c(/C=C/C(=O)O)c(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.46
LCK P06239 3/20 0.41
TEK Q02763 3/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
BTK Q06187 6/20 0.40
KDR P35968 2/20 0.40
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL169912 1.00 TNK2 (0.46) TNK2LCKTEKHCKSRC
SCHEMBL122968 0.92 TNK2 (0.52) TNK2LCKTEKBTKKDR
SCHEMBL122860 0.92 TNK2 (0.52) TNK2LCKTEKBTKKDR
SCHEMBL169875 0.91 TNK2 (0.52) TNK2LCKTEKBTKKDR
SCHEMBL169877 0.91 TNK2 (0.52) TNK2LCKTEKBTKKDR
SCHEMBL167514 0.89 TNK2 (0.45) TNK2LCKTEKBTKKDR
SCHEMBL167516 0.89 TNK2 (0.45) TNK2LCKTEKBTKKDR
SCHEMBL167515 0.89 TNK2 (0.45) TNK2LCKTEKBTKKDR
SCHEMBL169792 0.87 TNK2 (0.45) TNK2LCKTEKBTKKDR
SCHEMBL169231 0.87 TNK2 (0.45) TNK2LCKTEKBTKKDR

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 9 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-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 4767/4885TEK 3959/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 TNK2 511/4885LCK 7/4885TEK 3472/4885

“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.