SCHEMBL81569

SCHEMBL81569

CN1CCN(c2ccc(NC(=O)N(c3ccccc3)c3ncc4c[nH]nc4n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.46
LCK P06239 4/20 0.46
SRC P12931 4/20 0.46
MAPK14 Q16539 3/20 0.46
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
BTK Q06187 1/20 0.45
MAPT P10636 3/20 0.43
ESR2 Q92731 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
BRD4 O60885 1/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HCK P08631 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL81358 0.90 FLT3 (0.40) NPC1RAB9ATSHRUSP2FLT3
SCHEMBL82336 0.90 L3MBTL1 (0.47) KDRLCKSRCMAPK14RAB9A
SCHEMBL77343 0.86 NPC1 (0.47) KDRLCKSRCMAPK14GAA
SCHEMBL83895 0.84 MEN1 (0.42) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL3795837 0.81 NPC1 (0.46) KDRLCKSRCMAPK14GAA
SCHEMBL79491 0.81 MEN1 (0.42) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL79582 0.81 RAB9A (0.46) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL84020 0.80 L3MBTL1 (0.41) GAANPC1RAB9AKMT2AMEN1
SCHEMBL83959 0.80 BTK (0.38) BTKTSHRUSP2
SCHEMBL83621 0.80 CHRM4 (0.42) LCKBTKKMT2AMEN1MAPK1

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 KDR 980/4885LCK 217/4885SRC 264/4885

“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.