SCHEMBL6953179

SCHEMBL6953179

Nc1nccn2c(C3CCN(C(=O)OCc4ccccc4)CC3)nc(C3Cc4ccccc4N3)c12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.44
TNK2 Q07912 5/20 0.44
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42

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
SCHEMBL8399399 0.88 RAF1 (0.45) TNK2
SCHEMBL10241497 0.85 RAF1 (0.47) IGF1RTNK2
SCHEMBL8399665 0.85 TNK2 (0.63) IGF1RTNK2
SCHEMBL10242091 0.85 TNK2 (0.51) IGF1RTNK2
SCHEMBL8399681 0.83 BTK (0.44) IGF1RTNK2
SCHEMBL10240981 0.83 RAF1 (0.59) IGF1RTNK2
SCHEMBL10240965 0.83 TNK2 (0.48) IGF1RTNK2
SCHEMBL8399662 0.83 TNK2 (0.49) IGF1RTNK2
SCHEMBL13629179 0.82 TNK2 (0.47) IGF1RTNK2
SCHEMBL13629015 0.81 TNK2 (0.45) TNK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314111-B2 Fused bicyclic motor inhibitors OSI Pharmaceuticals, LLC (US) 2012-11-20 US disclosed
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors OSI Pharmaceuticals, LLC 2011-09-08 US disclosed
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 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 (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-20090163468-A1 Fused Bicyclic mTor Inhibitors MTOR, RICTOR, MAPKAP1 IGF1R 1033/4885TNK2 669/4885JAK2 323/4885
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 IGF1R 1033/4885TNK2 669/4885JAK2 323/4885
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 IGF1R 1033/4885TNK2 669/4885JAK2 323/4885

“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.