SCHEMBL15077178

SCHEMBL15077178

CNCc1n[nH]c2cc(C(C)(C)C)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.41
KIF11 P52732 5/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
FGFR1 P11362 2/20 0.39
FLT3 P36888 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CHEK1 O14757 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
CHUK O15111 1/20 0.39
PDPK1 O15530 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 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
SCHEMBL12258101 0.83 KIF11 (0.44) GSK3BKIF11HTR1DFGFR1FLT3
SCHEMBL15078644 0.80 ITK (0.44) GSK3BKIF11ABL1ITK
SCHEMBL12365607 0.76 GSK3B (0.49) GSK3BKIF11FGFR1FLT3CLK4
SCHEMBL10061629 0.74 YTHDC1 (0.47) FLT3PDPK1CDK2TRPA1
SCHEMBL10152397 0.74 KIF11 (0.47) GSK3BKIF11FGFR1FLT3CLK4
SCHEMBL12962020 0.74 KIF11 (0.47) GSK3BKIF11FGFR1FLT3CLK4
SCHEMBL84515 0.74 PDPK1 (0.55) GSK3BKIF11FGFR1FLT3CLK4
SCHEMBL23478517 0.72 KIF11 (0.46) GSK3BKIF11HTR1AHTR1DHTR1B
SCHEMBL14738709 0.72 KIF11 (0.46) GSK3BKIF11FGFR1FLT3CLK4
SCHEMBL13552135 0.72 KIF11 (0.42) GSK3BKIF11FGFR1FLT3CLK4

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-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 GSK3B 168/4885KIF11 2675/4885HTR1A 315/4885

“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.