SCHEMBL1571074

SCHEMBL1571074

CC(C)(C)[N+]1(C(=O)[O-])CCC(O)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3648749 0.90 LMNA (0.32) LMNATHRBCYP2C19
SCHEMBL3651917 0.90 LMNA (0.32) LMNATHRBCYP2C19
SCHEMBL11040106 0.85 MEN1 (0.31) MEN1TSHRKMT2A
SCHEMBL4648648 0.83 MEN1 (0.31) MEN1TSHRKMT2A
SCHEMBL2578537 0.82 LMNA (0.36) TSHRLMNA
SCHEMBL2546193 0.80
SCHEMBL6421985 0.79 TSHR (0.35) MEN1TSHRKMT2ALMNATHRB
SCHEMBL2543860 0.79
SCHEMBL3425719 0.79
SCHEMBL5968494 0.79 TSHR (0.35) MEN1TSHRKMT2ALMNATHRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO 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 (3 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MEN1 1865/4885TSHR 3154/4885KMT2A 998/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MEN1 1354/4885TSHR 3210/4885KMT2A 1065/4885
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MEN1 1891/4885TSHR 3241/4885KMT2A 1044/4885

“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.