SCHEMBL4174781

SCHEMBL4174781

NC(=O)c1csc(Cc2ccccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SLC40A1 Q9NP59 3/20 0.44
HTR2B P41595 1/20 0.44
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ENPP2 Q13822 1/20 0.43
PARP10 Q53GL7 1/20 0.43
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MMP1 P03956 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
SCHEMBL14459786 0.83 HDAC1 (0.52) HDAC1HDAC8HDAC6SLC40A1SMN1; SMN2
SCHEMBL26978028 0.82 HDAC1 (0.42) HDAC1HDAC8HDAC6SLC40A1HTR2B
SCHEMBL14440725 0.79 TLR7 (0.48) HDAC1HDAC8HDAC6SLC40A1SMN1; SMN2
SCHEMBL4673108 0.79 HDAC1 (0.42) HDAC1HDAC8HDAC6SLC40A1SMN1; SMN2
SCHEMBL4673105 0.79 HDAC1 (0.42) HDAC1HDAC8HDAC6SLC40A1SMN1; SMN2
SCHEMBL15651710 0.79 HDAC1 (0.68) HDAC1HDAC8HDAC6HTR2BACHE
SCHEMBL4447353 0.77 L3MBTL1 (0.47) SMN1; SMN2ALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL28291566 0.74 PDE10A (0.50) SMN1; SMN2ALDH1A1L3MBTL1KMT2ARAB9A
SCHEMBL3800903 0.72 CDK5 (0.56) HDAC1HDAC8HDAC6HTR2BSMN1; SMN2
SCHEMBL28211956 0.72 SMN1; SMN2 (0.44) SMN1; SMN2PARP10ALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 HDAC1 1079/4885HDAC8 850/4885HDAC6 712/4885

“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.