SCHEMBL4099330

SCHEMBL4099330

O=C(c1c[nH]cn1)N1CCN(c2nc(-c3ccc(F)cc3)c(-c3cc[nH]c(=O)c3)s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
MEN1 O00255 2/20 0.36
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MGLL Q99685 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL4103177 0.81 KCNH2 (0.44) KMT2AMAPTMAPK13MAPK12MAPK11
SCHEMBL4105910 0.79 KCNH2 (0.49) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL2359108 0.73 CHEK1 (0.43) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL4091561 0.68 MAPK1 (0.39) KMT2AMAPTMAPK13MAPK12MAPK11
SCHEMBL27048230 0.62 ALDH1A1 (0.53) KMT2AMAPTMEN1ALOX5PTGS2
SCHEMBL27045577 0.60 SMN1; SMN2 (0.46) KMT2AALOX5PTGS2ALDH1A1NPC1
SCHEMBL3309002 0.60 MAPT (0.41) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL4101760 0.60 PTGDR2 (0.45) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL7842725 0.60 PTGS2 (0.53) PTGS2
SCHEMBL7841860 0.60 PTGS2 (0.62) PTGS2

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 5 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
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO 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 KMT2A 861/4885MAPT 2554/4885MAPK13 99/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 KMT2A 861/4885MAPT 2554/4885MAPK13 99/4885

“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.