SCHEMBL2815076

SCHEMBL2815076

COc1cccc2ncc([N+](=O)[O-])cc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.51
PKM P14618 1/20 0.51
MET P08581 2/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
ALPL P05186 1/20 0.46
HTT P42858 2/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
KAT2B Q92831 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL15910663 0.79 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTPDGFRB
SCHEMBL31067268 0.77 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTPDGFRB
SCHEMBL28189815 0.77 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTMET
SCHEMBL27947745 0.74 MTNR1B (0.50) MEN1KMT2AALDH1A1MAPTPDGFRB
SCHEMBL5221215 0.74 PDE10A (0.48) ALDH1A1MAPTPKMPDGFRBPDGFRA
SCHEMBL2203575 0.74 PDGFRB (0.70) ALDH1A1MAPTPKMPDGFRBPDGFRA
SCHEMBL2815588 0.73 PDPK1 (0.45) MEN1KMT2AALDH1A1EGFRERBB2
SCHEMBL26317670 0.73 PDGFRA (0.47) ALDH1A1PKMPDGFRBPDGFRAEGFR
SCHEMBL2204145 0.73 EGFR (0.47) ALDH1A1MAPTALPLEGFRERBB2
SCHEMBL2203334 0.73 PDPK1 (0.45) ALDH1A1MAPTPKMPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 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 (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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB MEN1 2431/4885KMT2A 2616/4885ALDH1A1 4134/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB MEN1 2268/4885KMT2A 2718/4885ALDH1A1 4040/4885

“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.