SCHEMBL82336

SCHEMBL82336

CN1CCN(c2ccc(NC(=O)N(c3ccccc3)c3ncc4c[nH]nc4n3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 2/20 0.40
DGAT1 O75907 2/20 0.40
EP300 Q09472 1/20 0.39
PPARG P37231 1/20 0.39
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL79582 0.90 RAB9A (0.46) RAB9ASMN1; SMN2MTORDGAT1MAPT
SCHEMBL81569 0.90 KDR (0.46) RAB9ASMN1; SMN2LCKSRCKDR
SCHEMBL81868 0.87 L3MBTL1 (0.49) L3MBTL1RAB9ASMN1; SMN2EGFRPIK3CA
SCHEMBL83895 0.81 MEN1 (0.42) RAB9ASMN1; SMN2EGFRMAPTKDM4E
SCHEMBL81358 0.80 FLT3 (0.40) RAB9AALDH1A1HDAC3HDAC2
SCHEMBL83959 0.79 BTK (0.38) POLBHDAC2
SCHEMBL84020 0.79 L3MBTL1 (0.41) L3MBTL1RAB9ASMN1; SMN2TP53POLB
SCHEMBL83621 0.78 CHRM4 (0.42) EGFRLCKALDH1A1GSK3BDYRK1A
SCHEMBL77812 0.78 NOTUM (0.44) L3MBTL1RAB9ATP53ALDH1A1
SCHEMBL79491 0.77 MEN1 (0.42) L3MBTL1RAB9ASMN1; SMN2POLBKDM4E

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.