SCHEMBL12876132

SCHEMBL12876132

CCOC(=O)c1cnn(Cc2nc(-c3cc(C)cc(/C=C\c4cccnc4)c3)cs2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
AKT1 P31749 1/20 0.38
CNKSR1 Q969H4 1/20 0.38
KMT2A Q03164 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
GRM2 Q14416 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
GRM5 P41594 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL12875974 0.92 L3MBTL1 (0.41) L3MBTL1GAAAKT1CNKSR1KMT2A
SCHEMBL12876130 0.90 KMT2A (0.37) AKT1CNKSR1KMT2AADORA3ADORA1
SCHEMBL1198416 0.90 KDM4E (0.37) L3MBTL1GAAAKT1CNKSR1KMT2A
SCHEMBL1198415 0.90 KDM4E (0.37) L3MBTL1GAAAKT1CNKSR1KMT2A
SCHEMBL12875965 0.86 GRM2 (0.40) L3MBTL1GAAAKT1CNKSR1KMT2A
SCHEMBL12876272 0.85 MAPK1 (0.42) L3MBTL1GAAAKT1CNKSR1KMT2A
SCHEMBL12876124 0.84 GRM5 (0.47) L3MBTL1GAAAKT1CNKSR1KMT2A
SCHEMBL1198271 0.83 ALDH1A1 (0.41) L3MBTL1GAAAKT1CNKSR1KMT2A
SCHEMBL1198270 0.83 ALDH1A1 (0.41) L3MBTL1GAAAKT1CNKSR1KMT2A
SCHEMBL12876120 0.83 MMP13 (0.46) L3MBTL1GAAAKT1CNKSR1KMT2A

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 4726/4885GAA 2090/4885AKT1 402/4885

“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.