SCHEMBL11989403

SCHEMBL11989403

CC(=O)NCC(C)(C)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ACACB O00763 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
F2 P00734 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
SCHEMBL11989032 0.83 ALDH1A1 (0.49) SMN1; SMN2L3MBTL1PDE10AALDH1A1CYP1A2
SCHEMBL29288576 0.78 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1ALDH1A1CYP1A2TSHR
SCHEMBL7904498 0.77 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1PDE10AALDH1A1CYP1A2
SCHEMBL25617019 0.77 NPC1 (0.47) SMN1; SMN2PDE10AHDAC6
SCHEMBL23666718 0.75 IMPDH2 (0.48) SMN1; SMN2L3MBTL1ALDH1A1TSHRHDAC6
SCHEMBL17743682 0.75 CYP2C19 (0.47) SMN1; SMN2L3MBTL1ALDH1A1TSHR
SCHEMBL8499984 0.74 ACACB (0.51) ACACBHDAC6
SCHEMBL9990258 0.73 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ALDH1A1CYP1A2TSHR
SCHEMBL24608558 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1ALDH1A1CYP1A2
SCHEMBL29750392 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1ALDH1A1CYP1A2

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
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 US disclosed
US-8247418-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-08-21 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 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 (4 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-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A SMN1; SMN2 4522/4885L3MBTL1 4530/4885PDE10A 1/4885
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A SMN1; SMN2 4386/4885L3MBTL1 4488/4885PDE10A 3/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A SMN1; SMN2 4386/4885L3MBTL1 4488/4885PDE10A 3/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A SMN1; SMN2 3861/4885L3MBTL1 4050/4885PDE10A 1/4885

“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.