SCHEMBL3410271

SCHEMBL3410271

Cc1cnc(C(=O)c2ccccc2)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.45
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
MAPKAPK2 P49137 1/20 0.42
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
CHRM4 P08173 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12343678 0.87 GRM5 (0.55) GRM5MAPTNPC1RAB9ACCNA2
SCHEMBL1045191 0.80 HTT (0.44) GRM5MAPTNPC1RAB9AGLA
SCHEMBL30206297 0.79 GRM5 (0.42) GRM5ALDH1A1KDM4E
SCHEMBL1674128 0.79 GRM5 (0.42) GRM5ALDH1A1KDM4E
SCHEMBL30852223 0.75 GRM5 (0.42) GRM5MAPKAPK2HPGDALDH1A1KDM4E
SCHEMBL18779089 0.75 PDPK1 (0.44) GRM5ALDH1A1LMNASMN1; SMN2
SCHEMBL5682288 0.74 ATR (0.57) GRM5MAPTALDH1A1HTTHSD17B10
SCHEMBL30504303 0.74 ATR (0.57) GRM5MAPTALDH1A1HTTHSD17B10
SCHEMBL23229363 0.74 MAPT (0.52) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL27970428 0.73 MAPT (0.51) MAPTNPC1RAB9ACCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
CN-102036961-B Pyridine and pyrazine compounds as PI3K inhibitors NOVARTIS AG 2014-02-26 CN disclosed
EP-2597085-A1 Organic compounds Novartis AG (CH) 2013-05-29 EP disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
CN-102036961-A Pyridine and pyrazine compounds as PI3K inhibitors NOVARTIS AG 2011-04-27 CN disclosed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US 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-20090239847-A1 Organic compounds AR, TRPA1, IL33 GRM5 3387/4885MAPT 872/4885NPC1 483/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 GRM5 3387/4885MAPT 872/4885NPC1 483/4885

“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.