SCHEMBL2814675

SCHEMBL2814675

C=CCNc1ncccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.43
SUMO3 P55854 1/20 0.43
SUMO2 P61956 1/20 0.43
SUMO1 P63165 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HTT P42858 5/20 0.42
LMNA P02545 3/20 0.42
HIF1A Q16665 1/20 0.42
HPGD P15428 2/20 0.41
SLC2A1 P11166 1/20 0.40
RRM2 P31350 1/20 0.39
MTOR P42345 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
SCHEMBL8434004 0.79 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL361054 0.77
SCHEMBL21782258 0.76 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL9656952 0.75 KDM4E (0.51) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL2230165 0.75 SUMO3 (0.43) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL3805672 0.75 KDM4E (0.45) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL9432628 0.75 RAB9A (0.50) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL2946120 0.73 DHODH (0.54) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL3845642 0.73 KDM4E (0.47) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL8600198 0.72 MAPT (0.58) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A

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 25 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
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
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-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-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 (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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB ALDH1A1 4446/4885L3MBTL1 4104/4885SMN1; SMN2 3464/4885
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB ALDH1A1 4134/4885L3MBTL1 3177/4885SMN1; SMN2 3106/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB ALDH1A1 4040/4885L3MBTL1 3402/4885SMN1; SMN2 2964/4885

“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.