SCHEMBL12648256

SCHEMBL12648256

Nc1nccn2c(C3CCC(CNC(=O)c4c[nH]c5ccccc45)CC3)nc(C3Cc4ccccc4N3)c12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
RAF1 P04049 1/20 0.48
INSR P06213 1/20 0.48
IGF1R P08069 1/20 0.48
SRC P12931 1/20 0.48
KDR P35968 1/20 0.48
MAP2K1 Q02750 1/20 0.48
TNK2 Q07912 9/20 0.42
BTK Q06187 6/20 0.42
HTR4 Q13639 3/20 0.41

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
SCHEMBL8402085 0.87 TNK2 (0.50) PDPK1ABL1EGFRRAF1INSR
SCHEMBL8400021 0.85 TNK2 (0.45) RAF1SRCTNK2BTK
SCHEMBL12648311 0.84 IGF1R (0.48) PDPK1ABL1EGFRRAF1INSR
SCHEMBL12648433 0.83 TNK2 (0.48) PDPK1ABL1EGFRRAF1INSR
SCHEMBL8399665 0.81 TNK2 (0.63) PDPK1ABL1EGFRRAF1INSR
SCHEMBL8400285 0.81 IGF1R (0.45) PDPK1ABL1EGFRRAF1INSR
SCHEMBL13629011 0.80 TNK2 (0.55) PDPK1ABL1EGFRRAF1INSR
SCHEMBL12648255 0.80 TNK2 (0.54) PDPK1ABL1EGFRRAF1INSR
SCHEMBL10242629 0.80 IGF1R (0.48) PDPK1ABL1EGFRRAF1INSR
SCHEMBL594900 0.80 RAF1 (0.77) PDPK1ABL1EGFRRAF1INSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PDPK1 72/4885ABL1 430/4885EGFR 475/4885

“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.