SCHEMBL15445673

SCHEMBL15445673

Cc1ccc(Cn2nc(C)c(C(C)(C)C)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
GFER P55789 1/20 0.47
SLC2A1 P11166 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 2/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL17943764 0.85 KDM4E (0.44) GAAGFERSLC2A1KDM4EPOLB
SCHEMBL17943791 0.77 ALDH1A1 (0.49) GAAKDM4EPOLBSMN1; SMN2CYP11B1
SCHEMBL16832454 0.76 GAA (0.78) GAAGFERSLC2A1KDM4EPOLB
SCHEMBL22304696 0.73 SLC2A1 (0.54) GAAGFERSLC2A1KDM4EPOLB
SCHEMBL22304566 0.72 KDM4E (0.51) GAAKDM4EPOLBMAPTMEN1
SCHEMBL16855656 0.72 PTGDR2 (0.49) GAAGFERSLC2A1KDM4EPOLB
SCHEMBL17943614 0.72 HRH1 (0.41) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL13748686 0.71 NPBWR1 (0.42) GAASLC2A1KDM4EPTGDR2SMN1; SMN2
SCHEMBL31673675 0.71 POLB (0.80) GAAKDM4EPOLBPTGDR2SMN1; SMN2
SCHEMBL16832611 0.70 LMNA (0.57) GAAPOLBSMN1; SMN2MAPTNPC1

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
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 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-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GAA 3002/4885GFER 3955/4885SLC2A1 4838/4885

“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.