SCHEMBL9604990

SCHEMBL9604990

Cc1cc(N2CC3CCC(C2)O3)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
MAP3K12 Q12852 1/20 0.41
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
PIK3CA P42336 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL628146 0.91 MTOR (0.57) MTORMAPTMEN1KMT2AMAP3K12
SCHEMBL628832 0.87 MTOR (0.54) MTORMAPTLMNAKDM4ETSHR
SCHEMBL628412 0.85 MTOR (0.52) MTORSMN1; SMN2MAPTLMNAMAP3K12
SCHEMBL628430 0.82 MTOR (0.50) MTORSMN1; SMN2MAPK1HSD17B10MAP3K12
SCHEMBL628064 0.82 MAPT (0.55) MTORMAPTLMNAKDM4ETSHR
SCHEMBL629971 0.81 MTOR (0.47) MTORMEN1KMT2AMAP3K12PIK3CA
SCHEMBL629931 0.81 MTOR (0.47) MTORMAP3K12PIK3CA
SCHEMBL628537 0.80 MTOR (0.71) MTORPOLBPIK3CA
SCHEMBL628460 0.79 MTOR (0.51) MTORHSD17B10HRH3MAP3K12USP2
SCHEMBL1408711 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 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 (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 MTOR 1/4885SMN1; SMN2 3237/4885L3MBTL1 4306/4885

“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.