SCHEMBL61012

SCHEMBL61012

Cc1nc(Nc2ccc(O)cc2)nc2ccsc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
SOS2 Q07890 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
RAD52 P43351 1/20 0.43
AURKA O14965 2/20 0.42
IRAK4 Q9NWZ3 5/20 0.42
LRRK2 Q5S007 2/20 0.42
CDK4 P11802 3/20 0.41
CDK2 P24941 3/20 0.41
PLK1 P53350 3/20 0.41
PAK4 O96013 1/20 0.40
MAPK8 P45983 1/20 0.40
TYRO3 Q06418 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
CCNA2 P20248 1/20 0.39
MEN1 O00255 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
SCHEMBL21149631 0.77 CA1 (0.40) IRAK4LRRK2PAK4MAPK8TYRO3
SCHEMBL5959433 0.71 AURKA (0.59) SYKMAPTLMNAGAAAURKA
SCHEMBL55426 0.71 MTOR (0.68) SOS2MAPTLMNAGAARAD52
SCHEMBL13547594 0.70 ROCK2 (0.55) AURKALRRK2PAK4MAPK8TYRO3
SCHEMBL61008 0.68 ADORA2A (0.49) ADORA2AADORA2BNPC1RAB9ASMN1; SMN2
SCHEMBL14201374 0.67 RAB9A (0.34) MAPTIRAK4ADORA2AADORA2BNPC1
SCHEMBL9432398 0.66 PDE4B (0.50) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL9646257 0.65 AURKA (0.53) SYKMAPTLMNAGAAAURKA
SCHEMBL20783852 0.65 RAB9A (0.41) MAPTADORA2AADORA2BNPC1RAB9A
SCHEMBL61922 0.65 ADORA2A (0.53) MAPTADORA2AADORA2BMEN1NPC1

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-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD SYK 446/4885SOS2 1104/4885MAPT 2579/4885

“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.