SCHEMBL77343

SCHEMBL77343

CN1CCN(c2ccc(NC(=O)N(c3ccccc3)c3ncc4cn[nH]c4n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
BTK Q06187 1/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KDR P35968 2/20 0.44
LCK P06239 1/20 0.44
SRC P12931 1/20 0.44
MAPK14 Q16539 1/20 0.44
BRD4 O60885 1/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AURKA O14965 1/20 0.41
FLT3 P36888 1/20 0.41
EGFR P00533 1/20 0.41
MTOR P42345 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL81359 0.90 FLT3 (0.45) KDRTSHRFLT3
SCHEMBL81868 0.89 L3MBTL1 (0.49) RAB9ASMN1; SMN2EGFRMTORMAPT
SCHEMBL81569 0.86 KDR (0.46) NPC1RAB9ABTKGAANPSR1
SCHEMBL80255 0.84 ROCK2 (0.43) NPC1RAB9AGAAKMT2AMEN1
SCHEMBL3795837 0.83 NPC1 (0.46) NPC1RAB9ABTKGAANPSR1
SCHEMBL2536426 0.81 NPC1 (0.54) NPC1RAB9ABTKGAANPSR1
SCHEMBL83960 0.80 KDM5B (0.40) BTKTSHR
SCHEMBL79583 0.80 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MTORMAPT
SCHEMBL79492 0.80 MEN1 (0.41) NPC1RAB9AGAANPSR1KMT2A
SCHEMBL5529017 0.79 NPC1 (0.52) NPC1RAB9ABTKGAANPSR1

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 4 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
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO 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 NPC1 3124/4885RAB9A 1390/4885BTK 84/4885

“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.