SCHEMBL10258485

SCHEMBL10258485

CC(C)(C)C#CCNC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 4/20 0.60
YTHDC1 Q96MU7 1/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 2/20 0.56
SIRT1 Q96EB6 1/20 0.55
MAPK10 P53779 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FLT3 P36888 5/20 0.52
CDK2 P24941 2/20 0.52
CCNA2 P20248 1/20 0.52
CCNA1 P78396 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
STAT3 P40763 1/20 0.51
HIF1A Q16665 1/20 0.51
IDO1 P14902 1/20 0.50

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
SCHEMBL14314019 0.81 KDM4E (0.65) SMN1; SMN2KDM4EYTHDC1NPC1RAB9A
SCHEMBL20181950 0.80 KDM4E (0.64) SMN1; SMN2KDM4EYTHDC1NPC1RAB9A
SCHEMBL30068590 0.79 KDM4E (0.62) SMN1; SMN2KDM4EYTHDC1NPC1RAB9A
SCHEMBL6360185 0.77 KDM4E (0.75) SMN1; SMN2KDM4EYTHDC1NPC1RAB9A
SCHEMBL23854779 0.76 YTHDC1 (0.69) SMN1; SMN2KDM4EYTHDC1NPC1RAB9A
SCHEMBL7846799 0.76 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EYTHDC1NPC1RAB9A
SCHEMBL4464788 0.76 KDM4E (0.78) SMN1; SMN2KDM4EYTHDC1NPC1RAB9A
SCHEMBL10254160 0.75 HDAC1 (0.50) NPC1ALDH1A1SIRT1MEN1KMT2A
SCHEMBL952028 0.75 SMN1; SMN2 (0.77) SMN1; SMN2KDM4EYTHDC1NPC1RAB9A
SCHEMBL30644770 0.75 KDM4E (0.67) SMN1; SMN2KDM4EYTHDC1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (4 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 SMN1; SMN2 4550/4885KDM4E 4094/4885YTHDC1 4033/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 SMN1; SMN2 3336/4885KDM4E 840/4885YTHDC1 4024/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET SMN1; SMN2 4376/4885KDM4E 2282/4885YTHDC1 3772/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET SMN1; SMN2 4376/4885KDM4E 2282/4885YTHDC1 3772/4885

“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.