SCHEMBL4096817

SCHEMBL4096817

OC1CCN(c2nc(-c3ccncc3)c(-c3ccnc(F)c3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ADORA2B P29275 3/20 0.39
MAPK14 Q16539 4/20 0.39
ADORA2A P29274 2/20 0.37
PRKCZ Q05513 1/20 0.37
KMT2A Q03164 1/20 0.37
PRKD1 Q15139 1/20 0.37
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TNIK Q9UKE5 1/20 0.35
GRIA1 P42261 1/20 0.35

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
SCHEMBL6528770 0.91 KCNH2 (0.40) KCNH2HRH3ADORA2BMAPK14ADORA2A
SCHEMBL4091561 0.81 MAPK1 (0.39) KCNH2MAPK14PRKCZKMT2APRKD1
SCHEMBL4103384 0.72 ALDH1A1 (0.57) ADORA2BMAPK14ADORA2AKMT2AMAP4K4
SCHEMBL4092218 0.72 ADORA2B (0.52) ADORA2BMAPK14ADORA2AMAP4K4MINK1
SCHEMBL17297196 0.68 BRAF (0.43)
SCHEMBL6215634 0.67 MAPK14 (0.51) KCNH2MAPK14
SCHEMBL30576100 0.66 ITGB2 (0.49) MAPK14PRKD1
SCHEMBL12491446 0.65 AR (0.50) KMT2A
SCHEMBL12041777 0.63 HRH3 (0.71) KCNH2HRH3
SCHEMBL5205345 0.63 TGFBR1 (0.53) KCNH2ADORA2BMAPK14ADORA2AKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 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 (2 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 KCNH2 2790/4885HRH3 1828/4885ADORA2B 4778/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 KCNH2 2790/4885HRH3 1828/4885ADORA2B 4778/4885

“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.