SCHEMBL2814068

SCHEMBL2814068

C=CCNc1cc(F)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HCAR3 P49019 1/20 0.41
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 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
SCHEMBL3672665 0.79 HCAR3 (0.44) SLC2A1ALDH1A1HCAR3LMNAKDM4E
SCHEMBL851034 0.79 ALDH1A1 (0.61) SLC2A1ALDH1A1HCAR3LMNAL3MBTL1
SCHEMBL18479359 0.76 MAPK14 (0.45) ALDH1A1KDM5AKDM4CKDM5BMAPK10
SCHEMBL11180350 0.74 HCAR3 (0.48) SLC2A1ALDH1A1HCAR3LMNAKDM5A
SCHEMBL3145694 0.74 CXCR2 (0.33) HCAR3
SCHEMBL28497644 0.73 HCAR3 (0.61) SLC2A1ALDH1A1HCAR3LMNAKDM5A
SCHEMBL361613 0.72
SCHEMBL1002291 0.72 SLC2A1 (0.58) SLC2A1ALDH1A1HCAR3LMNAKDM4E
Methane SCHEMBL28026804 0.70 SLC2A1 (0.56) SLC2A1ALDH1A1HCAR3LMNAKDM4E
SCHEMBL11127455 0.70 HCAR3 (0.40) SLC2A1ALDH1A1HCAR3LMNAKDM5A

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 27 patents — showing the first 20. 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-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-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB SLC2A1 1349/4885ALDH1A1 4446/4885HCAR3 1099/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB SLC2A1 1876/4885ALDH1A1 4040/4885HCAR3 3052/4885

“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.