SCHEMBL4097979

SCHEMBL4097979

CC(C)(C)c1nc(-c2cccnc2)c(-c2ccnc(F)c2)n1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.47
NQO2 P16083 1/20 0.47
ADORA2A P29274 1/20 0.47
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
RAD51 Q06609 3/20 0.38
CYP2A6 P11509 2/20 0.36
MAP4K4 O95819 2/20 0.36
MINK1 Q8N4C8 2/20 0.36
TNIK Q9UKE5 2/20 0.36
KIF11 P52732 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 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
SCHEMBL4090666 0.81 TGFBR1 (0.36) PDE10AMAP4K4MINK1TNIK
SCHEMBL4098176 0.76 ADORA2B (0.49) ADORA2BNQO2ADORA2APDE2APDE10A
SCHEMBL4101340 0.72 BRAF (0.52) ADORA2BNQO2ADORA2APDE2APDE10A
SCHEMBL30066479 0.71 CYP2A6 (0.58) ADORA2BNQO2ADORA2APDE2APDE10A
SCHEMBL13741474 0.65 ADORA2B (0.51) ADORA2BNQO2ADORA2AMAP4K4MINK1
SCHEMBL4090706 0.65 ADORA2B (0.57) ADORA2BNQO2ADORA2AMAP4K4MINK1
SCHEMBL6222836 0.65 TGFBR1 (0.40) MAPK14
SCHEMBL12137676 0.64 ADORA2B (0.59) ADORA2BNQO2ADORA2APDE2APDE10A
SCHEMBL10220715 0.62 KIF11 (0.54) CYP2A6KIF11CYP1A2CYP3A4CYP2C9
SCHEMBL16132299 0.60 CYP2A6 (0.61) CYP2A6KIF11CYP1A2CYP3A4CYP2C9

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.