SCHEMBL3404083

SCHEMBL3404083

O=C(c1cccnc1)c1nc(Br)cnc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 1/20 0.48
PLOD2 O00469 1/20 0.47
PLOD3 O60568 1/20 0.47
PLOD1 Q02809 1/20 0.47
PIK3CA P42336 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.42
MTOR P42345 4/20 0.42
PIK3CG P48736 2/20 0.42
PIK3CD O00329 1/20 0.42
GRIA1 P42261 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
LRRK2 Q5S007 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3404651 0.84 SMN1; SMN2 (0.56) SMN1; SMN2TP53PLOD2PLOD3PLOD1
SCHEMBL3405233 0.75 CDK5 (0.57) GAAALDH1A1PIK3CDHDAC6
SCHEMBL27271151 0.73 PIK3CA (0.64) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3410572 0.73 IDH2 (0.47) PLOD2PLOD3PLOD1PIK3CAMEN1
SCHEMBL3404367 0.70 ATR (0.64) SMN1; SMN2TP53PLOD2PLOD3PLOD1
SCHEMBL2321391 0.68 MAPK1 (0.50) PIK3CAMEN1KMT2AGAAALDH1A1
SCHEMBL3402685 0.68 CCNA2 (0.52) SMN1; SMN2TP53MEN1KMT2AGAA
SCHEMBL27857429 0.68 HPGD (0.71) SMN1; SMN2MEN1KMT2AGAAALDH1A1
Nicopholine SCHEMBL11483977 0.68 PKM (0.61) SMN1; SMN2MEN1KMT2AGAAALDH1A1
Nicopholine SCHEMBL967933 0.68 PKM (0.61) SMN1; SMN2MEN1KMT2AGAAALDH1A1

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-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US 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
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 SMN1; SMN2 3824/4885TP53 986/4885PLOD2 2405/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 SMN1; SMN2 3824/4885TP53 986/4885PLOD2 2405/4885

“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.