SCHEMBL13756835

SCHEMBL13756835

Fc1cc(N2CCc3cnc(Nc4cnn(C5CCNCC5)c4)nc32)cc(F)c1CN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.49
JAK3 P52333 3/20 0.49
JAK2 O60674 2/20 0.49
TYK2 P29597 2/20 0.49
ABL1 P00519 1/20 0.49
PIK3CD O00329 1/20 0.44
CSF1R P07333 1/20 0.44
CDK4 P11802 1/20 0.44
CDK6 Q00534 1/20 0.44
NUAK1 O60285 4/20 0.43
AURKB Q96GD4 1/20 0.43
AURKC Q9UQB9 1/20 0.43
MYLK4 Q86YV6 2/20 0.43
STK17A Q9UEE5 2/20 0.43
LRRK2 Q5S007 3/20 0.42
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
NUAK2 Q9H093 1/20 0.39
STAT6 P42226 1/20 0.39
EIF2AK4 Q9P2K8 4/20 0.38

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
SCHEMBL1655180 0.81 JAK2 (0.52) JAK1JAK3JAK2TYK2ABL1
SCHEMBL13756772 0.81 LRRK2 (0.48) JAK2LRRK2STAT6
SCHEMBL13756760 0.81 LRRK2 (0.44) JAK1JAK3JAK2LRRK2IKBKE
SCHEMBL13756854 0.81 STAT6 (0.40) JAK1JAK3JAK2TYK2CDK4
SCHEMBL13756717 0.78 PIK3CA (0.38) JAK1JAK3JAK2TYK2CDK6
SCHEMBL13756805 0.77 STAT6 (0.47) CSF1RAURKBLRRK2STAT6
SCHEMBL13756836 0.76 STAT6 (0.40) JAK2AURKBLRRK2IKBKETBK1
SCHEMBL13756783 0.75 STAT6 (0.39) JAK2CSF1RAURKBLRRK2STAT6
SCHEMBL13756778 0.75 STAT6 (0.39) JAK2AURKBSTAT6
SCHEMBL13756789 0.75 STAT6 (0.42) JAK3PIK3CDAURKBSTAT6

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-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 JAK1 3/4885JAK3 16/4885JAK2 2/4885

“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.