SCHEMBL55543

SCHEMBL55543

CN(C)CCN(C(=O)OC(C)(C)C)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.43
MLYCD O95822 1/20 0.39
CYP3A4 P08684 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK2 O75116 1/20 0.37
F2 P00734 4/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
PAX8 Q06710 1/20 0.33
HTR6 P50406 1/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL18011040 0.94 CYP3A4 (0.41) PHLPP2CYP3A4SMN1; SMN2MEN1CYP2C9
SCHEMBL17890670 0.87 HTR6 (0.41) MLYCDCYP3A4SMN1; SMN2MEN1CYP2C9
SCHEMBL27696712 0.87 CYP3A4 (0.36) PHLPP2CYP3A4SMN1; SMN2MEN1CYP2C9
SCHEMBL16142413 0.87 L3MBTL1 (0.40) PHLPP2MLYCDCYP3A4SMN1; SMN2MEN1
SCHEMBL28836938 0.87 SSTR4 (0.38) PHLPP2MLYCDCYP3A4SMN1; SMN2MEN1
SCHEMBL16640702 0.84 PHLPP2 (0.37) PHLPP2CYP3A4SMN1; SMN2MEN1CYP2C9
SCHEMBL4554439 0.84 MEN1 (0.40) MLYCDCYP3A4SMN1; SMN2MEN1CYP2C9
SCHEMBL20955433 0.84 CYP3A4 (0.44) MLYCDCYP3A4CYP2C9CYP2C19F2
SCHEMBL4738587 0.83 TSHR (0.43) MLYCDCYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL14799729 0.83 MLYCD (0.41) MLYCDSMN1; SMN2MEN1KMT2AF2

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 PHLPP2 797/4885MLYCD 2402/4885CYP3A4 843/4885

“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.