SCHEMBL717648

SCHEMBL717648

COC(=O)c1cn(-c2ccc(OC)cc2)nc1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
CA12 O43570 7/20 0.55
CA9 Q16790 7/20 0.55
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
ATM Q13315 1/20 0.48
MAPT P10636 2/20 0.48
NPBWR1 P48145 2/20 0.46
MCHR1 Q99705 1/20 0.46
AURKA O14965 3/20 0.46
ADORA3 P0DMS8 1/20 0.43
MAPKAPK2 P49137 1/20 0.43

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
SCHEMBL720453 0.86 ALDH1A1 (0.52) L3MBTL1ALDH1A1KMT2AMEN1CA12
SCHEMBL719038 0.82 L3MBTL1 (0.62) L3MBTL1ALDH1A1KMT2AMEN1CA12
SCHEMBL23400080 0.79 MIF (0.44) L3MBTL1ALDH1A1KMT2AMEN1CA12
SCHEMBL720432 0.78 L3MBTL1 (0.58) L3MBTL1ALDH1A1KMT2AMEN1CA12
SCHEMBL719452 0.78 L3MBTL1 (0.58) L3MBTL1ALDH1A1KMT2AMEN1CA12
SCHEMBL717913 0.76 L3MBTL1 (0.56) L3MBTL1ALDH1A1KMT2AMEN1CA12
SCHEMBL719988 0.75 MEN1 (0.56) L3MBTL1ALDH1A1KMT2AMEN1CA12
SCHEMBL23142702 0.73 MAPT (0.40) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL4296566 0.72 NPSR1 (0.61) ALDH1A1CA12CA9MAPT
SCHEMBL6052367 0.71 L3MBTL1 (0.63) L3MBTL1ALDH1A1KMT2AMEN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP L3MBTL1 4088/4885ALDH1A1 504/4885KMT2A 1298/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP L3MBTL1 4088/4885ALDH1A1 504/4885KMT2A 1298/4885

“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.