SCHEMBL55511

SCHEMBL55511

Clc1nc(N2CC3CCC(C2)O3)c2cnn(-c3ccccc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.43
PIK3CA P42336 6/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 2/20 0.41
GRM1 Q13255 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
SCHEMBL55791 0.81 MTOR (0.70) MTORPIK3CA
SCHEMBL4992754 0.80 PIK3CA (0.65) MTORPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL55448 0.79 PIK3CA (0.53) MTORPIK3CAKMT2A
SCHEMBL55880 0.78 PIK3CA (0.62) MTORPIK3CA
SCHEMBL3721321 0.77 HSD17B10 (0.48) MTORPIK3CASMN1; SMN2MAPTALDH1A1
SCHEMBL55050 0.76 MTOR (0.56) MTORPIK3CA
SCHEMBL53928 0.76 PIK3CA (0.56) MTORPIK3CA
SCHEMBL55848 0.76 PIK3CA (0.58) MTORPIK3CA
SCHEMBL56612 0.75 PIK3CA (0.46) MTORPIK3CA
SCHEMBL54228 0.74 PIK3CA (0.57) MTORPIK3CA

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 MTOR 1/4885PIK3CA 2/4885NPC1 3124/4885

“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.