SCHEMBL16713403

SCHEMBL16713403

CCn1c(=O)sc2cccc(N)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 3/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.36
ATM Q13315 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP1B1 Q16678 1/20 0.36
RAB9A P51151 3/20 0.35

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
SCHEMBL9556658 0.81 CASP3 (0.39) L3MBTL1KDM4EPKMTSHRGAA
SCHEMBL12549725 0.80 L3MBTL1 (0.38) L3MBTL1KDM4EPKMTSHRGAA
SCHEMBL10816228 0.80 L3MBTL1 (0.41) L3MBTL1KDM4EPKMTSHRGAA
SCHEMBL31219281 0.77 MEN1 (0.34) L3MBTL1KDM4EPKMTSHRGAA
SCHEMBL4711989 0.76 MEN1 (0.40) L3MBTL1KDM4EPKMTSHRGAA
SCHEMBL12549880 0.76 HSD17B10 (0.46) L3MBTL1KDM4EPKMTSHRGAA
SCHEMBL7651483 0.75 GAA (0.37) L3MBTL1KDM4EPKMTSHRGAA
SCHEMBL12549883 0.73 MAPT (0.42) L3MBTL1KDM4ETSHRGAANPSR1
SCHEMBL513356 0.72 L3MBTL1 (0.64) L3MBTL1KDM4EPKMTSHRGAA
SCHEMBL31219236 0.70 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 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 (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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 L3MBTL1 4752/4885KDM4E 2414/4885PKM 1472/4885

“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.