SCHEMBL81868

SCHEMBL81868

CN1CCN(c2ccc(NC(=O)N(c3ccccc3)c3ncc4cn[nH]c4n3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 1/20 0.42
MTOR P42345 2/20 0.41
EGFR P00533 1/20 0.41
DGAT1 O75907 1/20 0.41
TRPV1 Q8NER1 4/20 0.41
EP300 Q09472 1/20 0.40
PPARG P37231 1/20 0.40
JAK2 O60674 1/20 0.40
SYK P43405 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL79583 0.89 RAB9A (0.48) RAB9ASMN1; SMN2MTORDGAT1MAPT
SCHEMBL77343 0.89 NPC1 (0.47) RAB9ASMN1; SMN2MTOREGFRMAPT
SCHEMBL82336 0.87 L3MBTL1 (0.47) L3MBTL1RAB9ASMN1; SMN2PIK3CAMTOR
SCHEMBL80255 0.80 ROCK2 (0.43) RAB9ASMN1; SMN2JAK2KDM4EMAPT
SCHEMBL78828 0.80 KMT2A (0.38) RAB9ASMN1; SMN2JAK2KDM4EMAPT
SCHEMBL81359 0.79 FLT3 (0.45) ALDH1A1HDAC3HDAC2
SCHEMBL83960 0.78 KDM5B (0.40) HDAC2
SCHEMBL84021 0.77 L3MBTL1 (0.43) L3MBTL1
SCHEMBL83622 0.77 CHRM4 (0.42) EGFRALDH1A1DYRK1A
SCHEMBL84230 0.77 KDM4E (0.39) L3MBTL1KDM4EALDH1A1

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 L3MBTL1 4609/4885RAB9A 1390/4885SMN1; SMN2 3070/4885

“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.