SCHEMBL3973580

SCHEMBL3973580

CC(=O)Nc1cc(-c2cncc(N=C(c3ccccc3)c3ccccc3)c2)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.37
ADORA2A P29274 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK7 P50613 1/20 0.37
TYRO3 Q06418 1/20 0.37
LRRK2 Q5S007 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
GRM5 P41594 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 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
SCHEMBL10369 0.74 CYP1A2 (0.56) ADORA1ADORA2AMAP4K4ABL1MAPK8
SCHEMBL3972385 0.74 ADORA2A (0.37) ADORA1ADORA2AMAP4K4ABL1MAPK8
SCHEMBL3972288 0.74 PTGS2 (0.38) ADORA1ADORA2AMAP4K4ABL1MAPK8
SCHEMBL4511353 0.74 PIK3C3 (0.52) PIK3C3
SCHEMBL4508178 0.70 PIP4K2A (0.48) AOC3PIK3C3
SCHEMBL30761630 0.68 RAB9A (0.45) ADORA1ADORA2AADORA3MAPTHTT
SCHEMBL3974458 0.67 RAB9A (0.40) HTTGRM5LMNARAB9A
SCHEMBL4506432 0.67 RAB9A (0.40) ADORA1ADORA2ALMNARAB9APIK3C3
SCHEMBL12984299 0.65 ESR1 (0.39) CYP1A2MAPTHTTRAB9AL3MBTL1
SCHEMBL17050103 0.64 HTT (0.39) ABL1CYP1A2MAPTHTTRAB9A

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-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-2016068-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2009-01-21 EP disclosed
WO-2007129052-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2007-11-15 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 (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-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MTOR, RICTOR, PIK3R5 ADORA1 1464/4885ADORA2A 2040/4885ADORA3 844/4885

“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.