SCHEMBL15078644

SCHEMBL15078644

CNCc1n[nH]c2cc(C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 9/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MAP2K4 P45985 3/20 0.37
MAP2K7 O14733 1/20 0.37
MAPK1 P28482 2/20 0.36
MAPKAPK2 P49137 2/20 0.36
MAPKAPK3 Q16644 2/20 0.36
MAPK6 Q16659 2/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
KIF11 P52732 1/20 0.36
GSK3B P49841 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL130781 0.81 ITK (0.47) ITKHSD17B10SMN1; SMN2MAP2K4MAP2K7
SCHEMBL15077178 0.80 GSK3B (0.41) ITKKIF11GSK3BABL1
SCHEMBL10061629 0.77 YTHDC1 (0.47) KDM4EALDH1A1HSD17B10RAB9ASMN1; SMN2
SCHEMBL14564411 0.74 MAPT (0.49) ITKKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL14564361 0.74 SMN1; SMN2 (0.55) ITKKDM4EALDH1A1SMN1; SMN2MAP2K4
SCHEMBL14942621 0.74 ITK (0.47) ITKMAP2K4MAP2K7MAPK1MAPKAPK2
SCHEMBL19853511 0.73 HSP90AA1 (0.42) ITKLMNAMAP2K4HSP90AA1HSP90AB1
SCHEMBL31552439 0.72 ITK (0.53) ITKMAP2K4MAP2K7MAPK1MAPKAPK2
SCHEMBL12247 0.72 ITK (0.53) ITKMAP2K4MAP2K7MAPK1MAPKAPK2
SCHEMBL14451980 0.72 FADS1 (0.46) LMNAHTTGSK3B

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 ITK 2317/4885KDM4E 1141/4885ALDH1A1 1886/4885

“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.