SCHEMBL9950847

SCHEMBL9950847

Nc1ncnc2c1c(I)cn2[C@H]1CC[C@H](O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 11/20 0.62
SRC P12931 3/20 0.60
MAP4K4 O95819 2/20 0.60
LCK P06239 2/20 0.60
FYN P06241 2/20 0.60
RET P07949 2/20 0.60
PRKACA P17612 2/20 0.60
KDR P35968 2/20 0.60
CSNK1A1 P48729 2/20 0.60
CLK2 P49760 2/20 0.60
LIMK1 P53667 2/20 0.60
CDK5 Q00535 2/20 0.60
MAP4K2 Q12851 2/20 0.60
DYRK1A Q13627 2/20 0.60
NTRK3 Q16288 2/20 0.60
AURKB Q96GD4 2/20 0.60
CLK4 Q9HAZ1 2/20 0.60
CDC7 O00311 1/20 0.60
PLK4 O00444 1/20 0.60
DYRK3 O43781 1/20 0.60

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
SCHEMBL9950846 1.00 ADK (0.62) ADKSRCMAP4K4LCKFYN
SCHEMBL16237288 0.93 SRC (0.59) ADKSRCMAP4K4LCKFYN
SCHEMBL1933267 0.87 RIPK2 (0.63) ADKSRCMAP4K4LCKFYN
SCHEMBL1933264 0.87 RIPK2 (0.63) ADKSRCMAP4K4LCKFYN
SCHEMBL29484468 0.87 SRC (0.61) ADKSRCMAP4K4LCKFYN
SCHEMBL400626 0.87 SRC (0.61) ADKSRCMAP4K4LCKFYN
SCHEMBL1940882 0.87 ABL1 (0.64) ADKSRCMAP4K4LCKFYN
SCHEMBL30155310 0.87 ABL1 (0.64) ADKSRCMAP4K4LCKFYN
SCHEMBL17818397 0.86 ABL1 (0.63) ADKSRCMAP4K4LCKFYN
SCHEMBL9951321 0.85 SRC (0.53) ADKSRCLCKRETKDR

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
WO-2012120469-A1 FLUOROPHENYL BICYCLIC HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2012-09-13 WO disclosed
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 3449/4885SRC 292/4885MAP4K4 1535/4885

“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.