SCHEMBL720074

SCHEMBL720074

COC(=O)c1cn(-c2cc(F)cc(F)c2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 6/20 0.44
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL29332031 0.83 ALKBH1 (0.41) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL718166 0.82 KMT2A (0.52) MAPTCA12CA1CA2CA9
SCHEMBL14905660 0.82 MAPT (0.42) MAPTCA12CA1CA2CA9
SCHEMBL716746 0.79 MAPT (0.69) MAPTCA12CA1CA2CA9
SCHEMBL717884 0.78 NPC1 (0.42) MAPTCA12CA1CA2CA9
SCHEMBL719038 0.77 L3MBTL1 (0.62) MAPTCA12CA1CA2CA9
SCHEMBL720934 0.77 CA12 (0.59) MAPTCA12CA1CA2CA9
SCHEMBL718378 0.76 MAPT (0.48) MAPTCA12CA1CA2CA9
SCHEMBL721457 0.76 MAPT (0.54) MAPTCA12CA1CA2CA9
SCHEMBL718941 0.76 ALDH1A1 (0.55) MAPTCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4533/4885CA12 1685/4885CA1 2571/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885CA12 1685/4885CA1 2571/4885

“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.