SCHEMBL13720172

SCHEMBL13720172

Nc1ncnc2c1c(I)cn2C1CCC(N2CCS(=O)(=O)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
SRC P12931 5/20 0.46
ADK P55263 7/20 0.46
LCK P06239 4/20 0.46
ABL1 P00519 4/20 0.46
PAK4 O96013 3/20 0.46
CSF1R P07333 3/20 0.46
FGFR1 P11362 3/20 0.46
KDR P35968 3/20 0.46
FLT3 P36888 3/20 0.46
LIMK1 P53667 3/20 0.46
ROCK1 Q13464 3/20 0.46
AURKB Q96GD4 3/20 0.46
RET P07949 3/20 0.46
EGFR P00533 3/20 0.46
TEK Q02763 2/20 0.46
MAP4K4 O95819 2/20 0.46
FYN P06241 2/20 0.46
FLT1 P17948 2/20 0.46

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
SCHEMBL13720171 1.00 MTOR (0.46) MTORRAB9ASRCADKLCK
SCHEMBL29503453 0.88 SRC (0.52) MTORRAB9ASRCADKLCK
SCHEMBL19743265 0.88 SRC (0.52) MTORRAB9ASRCADKLCK
SCHEMBL6867797 0.86 SRC (0.59) MTORRAB9ASRCADKLCK
SCHEMBL6866172 0.86 SRC (0.59) MTORRAB9ASRCADKLCK
SCHEMBL4721622 0.86 SRC (0.59) MTORRAB9ASRCADKLCK
SCHEMBL16237288 0.85 SRC (0.59) MTORRAB9ASRCADKLCK
Hydrochloric Acid SCHEMBL6868366 0.85 SRC (0.58) MTORRAB9ASRCADKLCK
Hydrochloric Acid SCHEMBL6868362 0.85 SRC (0.58) MTORRAB9ASRCADKLCK
SCHEMBL19743546 0.80 MTOR (0.52) MTORRAB9ASRCADKLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI MTOR 926/4885RAB9A 3325/4885SRC 660/4885

“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.