SCHEMBL21117070

SCHEMBL21117070

N#Cc1cc(C#N)c(NCC(N)=O)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 2/20 0.42
ACHE P22303 4/20 0.41
BCHE P06276 3/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
EGFR P00533 1/20 0.41
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL30656353 0.78 CCNA2 (0.63) KDM4EACHEBCHEALDH1A1SMN1; SMN2
SCHEMBL1846121 0.74 GLA (0.44) KDM4EMAPTSMN1; SMN2CCNA2CDK2
SCHEMBL30656125 0.73 KDM4E (0.58) KDM4EHSD17B10ACHEBCHEALDH1A1
SCHEMBL27883168 0.70 KDM4E (0.57) KDM4EHSD17B10ACHEALDH1A1MAPT
SCHEMBL21116532 0.70 ALDH1A1 (0.67) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL1848870 0.70 NPC1 (0.48) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL7507341 0.69 PDE10A (0.48) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL5025117 0.64 BLM (0.41) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL977210 0.64 PIP4K2A (0.39) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL974622 0.64 PIP4K2A (0.39) ALDH1A1MAPTSMN1; SMN2RAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDM4E 77/4885HSD17B10 2299/4885ACHE 1940/4885
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 DNMT1, DNMT3A, DNMT3B KDM4E 77/4885HSD17B10 2299/4885ACHE 1940/4885

“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.