SCHEMBL628064

SCHEMBL628064

Nc1ccc(-c2nc(-c3ccccc3)cc(N3CC4CCC(C3)O4)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
HPGD P15428 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPK1 P28482 1/20 0.52
MTOR P42345 4/20 0.50
PIK3CA P42336 1/20 0.50
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
MAP3K12 Q12852 1/20 0.47
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HRH4 Q9H3N8 2/20 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
SCHEMBL628832 0.95 MTOR (0.54) MAPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL628146 0.88 MTOR (0.57) MAPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL628521 0.84 MAP3K12 (0.57) MTORPIK3CAMAP3K12HRH4
SCHEMBL628430 0.83 MTOR (0.50) ALDH1A1HSD17B10NPSR1MAPK1MTOR
SCHEMBL9604990 0.82 MTOR (0.52) MAPTHPGDMEN1KMT2ATSHR
SCHEMBL621415 0.82 MAP3K12 (0.48) MAPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL628412 0.82 MTOR (0.52) MAPTNPSR1MTORPIK3CALMNA
SCHEMBL3719069 0.82 MTOR (0.52) MAPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL629658 0.80 HPGD (0.50) MAPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL1408711 0.79 MTOR (0.58) MTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419432-B9 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2016-02-17 EP disclosed
EP-2419432-B9 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2016-02-17 EP disclosed
US-8835429-B2 Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses WYETH LLC (US) 2014-09-16 US disclosed
US-8835429-B2 Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses WYETH LLC (US) 2014-09-16 US disclosed
US-8835429-B2 Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses WYETH LLC (US) 2014-09-16 US disclosed
EP-2419432-B1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2013-11-20 EP disclosed
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 US disclosed
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 US disclosed
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 US disclosed
EP-2419432-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2012-02-22 EP disclosed
WO-2010120998-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 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 (1 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-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD MAPT 1807/4885HPGD 2115/4885MEN1 2335/4885

“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.