SCHEMBL717862

SCHEMBL717862

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
POLB P06746 1/20 0.42
DGAT1 O75907 2/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL719038 0.86 L3MBTL1 (0.62) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL718378 0.85 MAPT (0.48) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL719984 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL720934 0.81 CA12 (0.59) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL716746 0.80 MAPT (0.69) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL28717643 0.79 NR3C1 (0.49) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL718166 0.78 KMT2A (0.52) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL23928575 0.77 CA12 (0.66) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL718931 0.77 CA12 (0.51) ALDH1A1MAPK1MAPTCA12CA9
SCHEMBL31466406 0.76 L3MBTL1 (0.43) ALDH1A1MAPK1L3MBTL1MAPTPOLB

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 ALDH1A1 504/4885MAPK1 320/4885L3MBTL1 4088/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALDH1A1 504/4885MAPK1 320/4885L3MBTL1 4088/4885

“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.