SCHEMBL9950693

SCHEMBL9950693

C=C1CCC(n2cc(I)c3c(Cl)ncnc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 10/20 0.48
SLC29A1 Q99808 1/20 0.46
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
RET P07949 4/20 0.35
SRC P12931 3/20 0.35
ABL1 P00519 3/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35

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
SCHEMBL16236390 0.89 ADK (0.54) ADKSLC29A1MTORRAB9ARET
SCHEMBL29484542 0.89 ADK (0.54) ADKSLC29A1MTORRAB9ARET
SCHEMBL3819981 0.86 ADK (0.48) ADKSLC29A1MTORRAB9ARET
SCHEMBL401328 0.86 ADK (0.52) ADKSLC29A1MTORRAB9ARET
SCHEMBL1939761 0.86 ADK (0.52) ADKSLC29A1MTORRAB9ARET
SCHEMBL30373169 0.85 ADK (0.51) ADKSLC29A1MTORRAB9ARET
SCHEMBL22086530 0.85 ADK (0.51) ADKSLC29A1MTORRAB9ARET
SCHEMBL16236685 0.85 ADK (0.51) ADKSLC29A1MTORRAB9ARET
SCHEMBL1441949 0.84 MTOR (0.52) ADKMTORRAB9ARETSRC
SCHEMBL9950833 0.82 ADK (0.55) ADKSLC29A1MTORRAB9ARET

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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 ADK 3449/4885SLC29A1 1922/4885MTOR 1267/4885

“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.