SCHEMBL10061978

SCHEMBL10061978

O=C(NNc1ccccn1)c1c2ccccc2nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.58
GAA P10253 9/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
P2RX7 Q99572 1/20 0.47
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
MAPT P10636 6/20 0.47
MAPK1 P28482 5/20 0.47
POLB P06746 5/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47

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
SCHEMBL10062331 0.81 KDM5A (0.72) KDM5ASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL13385745 0.78 GAA (0.66) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5523952 0.76 GAA (0.65) GAASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL23388826 0.74 SMN1; SMN2 (0.61) KDM5AGAASMN1; SMN2KDM4ENPC1
SCHEMBL29995352 0.74 SMN1; SMN2 (0.61) KDM5AGAASMN1; SMN2KDM4ENPC1
SCHEMBL10061795 0.74 KDM5A (0.55) KDM5AGAASMN1; SMN2KDM4ENPC1
SCHEMBL10062372 0.73 KDM5A (1.00) KDM5AGAASMN1; SMN2KDM4ENPC1
SCHEMBL10383050 0.71 GAA (0.58) GAASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL29076327 0.71 GAA (0.58) GAASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7044638 0.71 PDE10A (0.51) GAASMN1; SMN2KDM4ERAB9ATSHR

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
EP-1853920-B1 FLUORESCENCE POLARIZATION ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS INC (US) 2012-02-01 EP disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 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 (2 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B KDM5A 971/4885GAA 119/4885SMN1; SMN2 981/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 KDM5A 1060/4885GAA 220/4885SMN1; SMN2 2655/4885

“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.