SCHEMBL721457

SCHEMBL721457

COC(=O)c1cn(-c2cccc(Cl)c2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PARP1 P09874 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP3 Q9Y6F1 1/20 0.48
MAPK1 P28482 2/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
POLB P06746 2/20 0.44
LMNA P02545 2/20 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
SCHEMBL718941 0.86 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL14692464 0.85 PKM (0.57) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL720934 0.85 CA12 (0.59) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL716746 0.84 MAPT (0.69) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2265110 0.81 PARP1 (0.71) MAPTALDH1A1KMT2APARP1PARP2
SCHEMBL718166 0.79 KMT2A (0.52) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL718347 0.77 PARP1 (0.46) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL719038 0.76 L3MBTL1 (0.62) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL720074 0.76 MAPT (0.45) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5487271 0.74 NOTUM (0.71) MAPTALDH1A1MAPK1PKMHPGD

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 MAPT 4533/4885ALDH1A1 504/4885KMT2A 1298/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885ALDH1A1 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.