SCHEMBL12648397

SCHEMBL12648397

Nc1nccn2c(C3CCN(C(=O)c4cccs4)CC3)nc(C3Cc4ccccc4N3)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TNK2 Q07912 12/20 0.40
BTK Q06187 3/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8399469 0.88 RAF1 (0.43) RAF1SRCTNK2BTK
SCHEMBL8402121 0.87 RAF1 (0.40) RAF1SRCTNK2BTK
SCHEMBL8400172 0.87 RAF1 (0.43) RAF1SRCTNK2BTK
SCHEMBL10241497 0.86 RAF1 (0.47) RAF1SRCTNK2BTK
SCHEMBL10242091 0.85 TNK2 (0.51) RAF1SRCTNK2BTK
SCHEMBL8399421 0.84 TNK2 (0.43) RAF1SRCALDH1A1HTTTNK2
SCHEMBL8399399 0.84 RAF1 (0.45) RAF1SRCTNK2BTK
SCHEMBL10240981 0.84 RAF1 (0.59) RAF1SRCTNK2BTK
SCHEMBL10240965 0.84 TNK2 (0.48) RAF1SRCTNK2BTK
SCHEMBL13629015 0.84 TNK2 (0.45) RAF1SRCTNK2BTK

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 RAF1 260/4885SRC 294/4885ALDH1A1 3956/4885

“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.