SCHEMBL4098176

SCHEMBL4098176

On1cnc(-c2cccnc2)c1-c1ccnc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.49
NQO2 P16083 1/20 0.49
ADORA2A P29274 1/20 0.49
PDE10A Q9Y233 3/20 0.39
PDE2A O00408 1/20 0.39
CYP2A6 P11509 6/20 0.38
PDE3A Q14432 1/20 0.38
NPY5R Q15761 1/20 0.38
CYP2E1 P05181 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAP4K4 O95819 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
TNIK Q9UKE5 1/20 0.37
TDO2 P48775 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 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
SCHEMBL30066479 0.76 CYP2A6 (0.58) ADORA2BNQO2ADORA2APDE10APDE2A
SCHEMBL4097979 0.76 ADORA2B (0.47) ADORA2BNQO2ADORA2APDE10APDE2A
SCHEMBL13741474 0.70 ADORA2B (0.51) ADORA2BNQO2ADORA2AMAP4K4MINK1
SCHEMBL13740506 0.70 NSD3 (0.47) ADORA2AMAP4K4MAPK13MAPK12MAPK11
SCHEMBL4090706 0.68 ADORA2B (0.57) ADORA2BNQO2ADORA2ANPY5RMAP4K4
SCHEMBL4101340 0.65 BRAF (0.52) ADORA2BNQO2ADORA2APDE10APDE2A
SCHEMBL22068158 0.63 IDO1 (0.55) ADORA2BADORA2AMAP4K4MINK1TNIK
SCHEMBL31472663 0.62 NOTUM (0.48) ADORA2BMAP4K4MINK1TNIKALDH1A1
SCHEMBL21333215 0.62 NOTUM (0.48) ADORA2BMAP4K4MINK1TNIKALDH1A1
SCHEMBL16835811 0.62 AXL (0.50) ADORA2BNQO2ADORA2ACYP2A6NPY5R

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 3 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-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 ADORA2B 4778/4885NQO2 3554/4885ADORA2A 4577/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 ADORA2B 4778/4885NQO2 3554/4885ADORA2A 4577/4885

“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.