SCHEMBL12876397

SCHEMBL12876397

CCOC(=O)c1cnn(Cc2nc(-c3ccc(C)cc3)cs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
CNKSR1 Q969H4 4/20 0.49
AKT1 P31749 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 2/20 0.49
IDO1 P14902 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRM2 Q14416 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM1 Q13255 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL1198349 0.93 ALDH1A1 (0.49) L3MBTL1KDM4EHPGDCNKSR1AKT1
SCHEMBL1198780 0.93 LMNA (0.45) L3MBTL1KDM4EHPGDCNKSR1AKT1
SCHEMBL1198160 0.92 L3MBTL1 (0.42) L3MBTL1KDM4EHPGDCNKSR1AKT1
SCHEMBL1199020 0.92 L3MBTL1 (0.50) L3MBTL1KDM4EHPGDCNKSR1AKT1
SCHEMBL1198853 0.92 KDM4E (0.52) L3MBTL1KDM4EHPGDCNKSR1AKT1
SCHEMBL1198524 0.91 MEN1 (0.52) L3MBTL1KDM4EGAAALDH1A1RAB9A
SCHEMBL12875680 0.89 L3MBTL1 (0.44) L3MBTL1KDM4EHPGDCNKSR1AKT1
SCHEMBL1197751 0.89 L3MBTL1 (0.53) L3MBTL1KDM4EHPGDCNKSR1AKT1
SCHEMBL1199091 0.88 RAB9A (0.43) L3MBTL1KDM4EHPGDCNKSR1AKT1
SCHEMBL12875755 0.88 MAPT (0.49) KDM4EGAAALDH1A1RAB9AMAPK1

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A L3MBTL1 4726/4885KDM4E 1877/4885HPGD 74/4885

“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.