SCHEMBL20150083

SCHEMBL20150083

COc1c(-c2nn[nH]n2)cccc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
XDH P47989 3/20 0.47
PBRM1 Q86U86 1/20 0.44
IDO1 P14902 1/20 0.44
LDHA P00338 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP1 O94782 1/20 0.42
WDR48 Q8TAF3 1/20 0.42
GPR35 Q9HC97 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41

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
SCHEMBL8256040 0.81 ALDH1A1 (0.66) KDM4EPKMGAAALDH1A1MEN1
SCHEMBL22053134 0.79 PBRM1 (0.63) KDM4EPKMGAAALDH1A1MEN1
SCHEMBL20150087 0.78 TP53 (0.37) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20150105 0.77 TP53 (0.39) KDM4EGAAMEN1KMT2AL3MBTL1
SCHEMBL20150088 0.77 ALDH1A1 (0.50) KDM4EPKMGAAALDH1A1MEN1
SCHEMBL20150120 0.76 TSHR (0.39) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL18415084 0.75 BRD4 (0.43) KDM4EMEN1KMT2ATP53USP1
SCHEMBL20150106 0.75 TP53 (0.32) KDM4EPKMGAAALDH1A1TP53
SCHEMBL20150109 0.74 TSHR (0.38) ALDH1A1MEN1KMT2AL3MBTL1TP53
SCHEMBL20150090 0.73 METAP2 (0.55) IDO1USP1WDR48

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-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885PKM 1134/4885GAA 1899/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885PKM 1134/4885GAA 1899/4885

“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.