SCHEMBL3770636

SCHEMBL3770636

N=C(NO)c1cnc2ccc(Br)cn12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
MAP3K14 Q99558 1/20 0.42
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
FLT3 P36888 1/20 0.38
TGFBR1 P36897 2/20 0.36
CLK1 P49759 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
MAPK10 P53779 1/20 0.35
EPHB3 P54753 2/20 0.34
TRIM33 Q9UPN9 3/20 0.33
TRIM24 O15164 2/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL1649588 0.79 TGFBR1 (0.47) ADORA2AMAP3K14PIK3CAMTORTGFBR1
SCHEMBL1614377 0.78 ADORA2A (0.47) ADORA2AMAP3K14PIK3CAMTORTGFBR1
SCHEMBL12850103 0.78 ADORA2A (0.45) ADORA2AMAP3K14PIK3CAMTORFLT3
SCHEMBL21084989 0.78 TGFBR1 (0.51) TGFBR1
SCHEMBL15639434 0.78 PIK3CA (0.45) ADORA2AMAP3K14PIK3CAMTORTGFBR1
SCHEMBL3845576 0.78 ADORA2A (0.45) ADORA2AMAP3K14TGFBR1CLK1GAA
SCHEMBL4252029 0.78 TGFBR1 (0.39) TGFBR1CLK1EPHB3
SCHEMBL13874343 0.77 ADORA2A (0.45) ADORA2APIK3CAMTORTGFBR1CLK1
SCHEMBL6220902 0.77 MAP3K14 (0.43) ADORA2AMAP3K14PIK3CAMTORFLT3
SCHEMBL6220907 0.77 MAP3K14 (0.43) ADORA2AMAP3K14PIK3CAMTORFLT3

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-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-12-09 US disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP 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-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS PIKFYVE, JAK3, PI4KA ADORA2A 1079/4885MAP3K14 56/4885PIK3CA 15/4885

“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.