SCHEMBL2062273

SCHEMBL2062273

Cc1nnsc1C(=O)NC(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 5/20 0.52
POLB P06746 4/20 0.52
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 3/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 4/20 0.47
AGTR1 P30556 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL11537455 0.80 GAA (0.48) LMNAALDH1A1POLBNPC1PKM
SCHEMBL11276698 0.79 LMNA (0.57) LMNAALDH1A1POLBNPC1PKM
SCHEMBL12292649 0.79 LMNA (0.57) LMNAALDH1A1POLBNPC1PKM
SCHEMBL11543815 0.78 LMNA (0.61) LMNAALDH1A1POLBNPC1PKM
SCHEMBL11536851 0.77 ALDH1A1 (0.49) LMNAALDH1A1POLBNPC1PKM
SCHEMBL108862 0.77 LMNA (0.56) LMNAALDH1A1POLBNPC1PKM
SCHEMBL11263887 0.76 LMNA (0.42) LMNAALDH1A1POLBNPC1PKM
SCHEMBL4952742 0.75 ALDH1A1 (0.37) LMNAALDH1A1POLBNPC1PKM
SCHEMBL6216511 0.75 MAPT (0.57) LMNAALDH1A1POLBMAPTUSP2
SCHEMBL13415875 0.75 MAPT (0.47) LMNAALDH1A1POLBNPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
EP-1937637-B1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-04-03 EP disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-8148538-B2 N-alkyl-heterocyclyl carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-04-03 US disclosed
US-20100197633-A1 N-Alkyl-Heterocyclyl Carboxamide Derivatives BAYER CROPSCIENCE S.A. (FR) 2010-08-05 US disclosed
EP-1937637-A1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-07-02 EP disclosed
WO-2007039615-A1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-04-12 WO disclosed
US-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 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 (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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK LMNA 2945/4885ALDH1A1 4754/4885POLB 125/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB LMNA 2335/4885ALDH1A1 4626/4885POLB 145/4885
US-20100197633-A1 N-Alkyl-Heterocyclyl Carboxamide Derivatives CYP1A2, CYP3A7, GANC LMNA 2548/4885ALDH1A1 945/4885POLB 3679/4885

“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.