SCHEMBL12328151

SCHEMBL12328151

CC(CC(=O)NCC1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.78
RAF1 P04049 2/20 0.78
SRC P12931 2/20 0.78
IGF1R P08069 2/20 0.78
PDPK1 O15530 1/20 0.78
ABL1 P00519 1/20 0.78
EGFR P00533 1/20 0.78
INSR P06213 1/20 0.78
MAP2K1 Q02750 1/20 0.78
TNK2 Q07912 13/20 0.53
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
MTOR P42345 1/20 0.52
PIK3CG P48736 1/20 0.52
PRKDC P78527 1/20 0.52
RICTOR Q6R327 1/20 0.52
RPTOR Q8N122 1/20 0.52
MAPKAP1 Q9BPZ7 1/20 0.52
MLST8 Q9BVC4 1/20 0.52
FGFR1 P11362 1/20 0.51

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
SCHEMBL593497 0.88 RAF1 (1.00) KDRRAF1SRCIGF1RPDPK1
SCHEMBL593495 0.88 RAF1 (1.00) KDRRAF1SRCIGF1RPDPK1
SCHEMBL3178294 0.88 RAF1 (0.88) KDRRAF1SRCIGF1RPDPK1
SCHEMBL3178316 0.88 RAF1 (0.88) KDRRAF1SRCIGF1RPDPK1
SCHEMBL8396332 0.87 RAF1 (0.78) KDRRAF1SRCIGF1RPDPK1
SCHEMBL6953298 0.87 RAF1 (0.83) KDRRAF1SRCIGF1RPDPK1
SCHEMBL12708864 0.86 IGF1R (0.79) KDRRAF1SRCIGF1RPDPK1
SCHEMBL594882 0.86 RAF1 (0.84) KDRRAF1SRCIGF1RPDPK1
SCHEMBL594880 0.86 RAF1 (0.84) KDRRAF1SRCIGF1RPDPK1
SCHEMBL593954 0.84 IGF1R (0.82) KDRRAF1SRCIGF1RPDPK1

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-7943767-B2 Fused bicyclic mTOR inhibitors OSI PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. 2010-04-22 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-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 KDR 2434/4885RAF1 260/4885SRC 294/4885
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 KDR 2434/4885RAF1 260/4885SRC 294/4885

“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.