SCHEMBL12900697

SCHEMBL12900697

O=C(NCCc1cccnc1)c1sccc1Nc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM4 P08173 1/20 0.40
GSK3B P49841 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER2 P43116 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
TBXAS1 P24557 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
NUDT1 P36639 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL19390620 0.91 RAB9A (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1231271 0.90 HTT (0.44) MEN1KMT2ANPC1RAB9A
SCHEMBL12901726 0.90 CCNK (0.37) MEN1KMT2ACCNKCDK12JAK2
SCHEMBL12901006 0.89 HDAC2 (0.40) HDAC2HDAC8HDAC6NPC1RAB9A
SCHEMBL12901011 0.86 SNCA (0.41) MEN1KMT2ANPC1GSK3BJAK2
SCHEMBL16687553 0.86 BTK (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12901008 0.86 SMN1; SMN2 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19390444 0.86 MAPT (0.46) NPC1RAB9ASMN1; SMN2GSK3BJAK2
SCHEMBL12900374 0.86 AKT1 (0.39) HDAC6KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12901013 0.86 NPC1 (0.43) NPC1RAB9ASMN1; SMN2JAK2JAK1

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
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
WO-2011017009-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 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 (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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC HDAC2 1111/4885HDAC8 764/4885HDAC6 688/4885

“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.