SCHEMBL4022386

SCHEMBL4022386

Cc1n[nH]cc1-c1ccc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
PIK3CD O00329 2/20 0.42
MAP3K11 Q16584 3/20 0.41
LRRK2 Q5S007 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PDE10A Q9Y233 1/20 0.40
MTOR P42345 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
LTA4H P09960 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP4K4 O95819 2/20 0.39
ALOX5AP P20292 1/20 0.38

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
SCHEMBL25343737 0.81 TDO2 (0.32) TDO2LRRK2
SCHEMBL17785560 0.78 KDR (0.39) MAP3K11ROCK1KDM4EALDH1A1
SCHEMBL25345830 0.78 CYP2A6 (0.54) TDO2MKNK1MKNK2MAPK1KCNH2
SCHEMBL2419516 0.74 MEN1 (0.40) LRRK2
SCHEMBL27964785 0.73 MKNK1 (0.40) TDO2PIK3CDMAP3K11LRRK2MKNK1
SCHEMBL16835898 0.73 NOS3 (0.47) TDO2NOS3NOS2PIK3CDMKNK1
SCHEMBL19813042 0.72 HTT (0.42) NOS3NOS2LRRK2MAP4K4ALOX5AP
SCHEMBL5188307 0.71 BTK (0.40) TDO2NOS3NOS2LRRK2ROCK2
SCHEMBL24962591 0.71 IKBKB (0.41)
SCHEMBL8360337 0.71 DYRK1A (0.45) TDO2LRRK2ROCK1KDM4EMAP4K4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2019-01-29 US disclosed
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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 (3 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-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 TDO2 3691/4885NOS3 1023/4885NOS2 846/4885
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R TDO2 1518/4885NOS3 1622/4885NOS2 3361/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 TDO2 3691/4885NOS3 1023/4885NOS2 846/4885

“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.