SCHEMBL11051645

SCHEMBL11051645

CCc1cc(CC)c(C#N)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.59
HPGD P15428 10/20 0.59
HSD17B10 Q99714 3/20 0.59
CYP1A2 P05177 1/20 0.59
KDM4E B2RXH2 11/20 0.54
GAA P10253 6/20 0.49
GLA P06280 5/20 0.49
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
PDE9A O76083 4/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DAO P14920 1/20 0.41
TP53 P04637 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 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
SCHEMBL1694757 0.84 KDM4E (0.51) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL2587537 0.81 KDM4E (0.71) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL8884786 0.81 ALDH1A1 (0.76) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL16561953 0.80 KDM4E (0.49) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL11014636 0.73 KDM4E (0.45) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL1694783 0.70 KDM4E (0.64) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL2586136 0.70 KDM4E (0.66) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL23860992 0.69 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL20339834 0.69 KDM4E (0.64) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL3157429 0.69 KDM4E (0.48) ALDH1A1HPGDKDM4EGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451469-A Selected 6-alkyl-and 4,6-dialkyl-2(1H)-pyridinones as cardiotonics STERLING DRUG INC. (US) 1984-05-29 US claimed
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN disclosed
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 US disclosed
EP-3468953-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-04-17 EP disclosed
CN-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 CN disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
US-4451469-A Selected 6-alkyl-and 4,6-dialkyl-2(1H)-pyridinones as cardiotonics STERLING DRUG INC. (US) 1984-05-29 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-10975056-B2 Substituted pyridines as inhibitors of DNMT1 DNMT1, DNMT3A, DNMT3B ALDH1A1 496/4885HPGD 3170/4885HSD17B10 2299/4885
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 DNMT1, DNMT3A, DNMT3B ALDH1A1 496/4885HPGD 3170/4885HSD17B10 2299/4885

“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.