SCHEMBL718378

SCHEMBL718378

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.47
CFTR P13569 1/20 0.46
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 6/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.42
DGAT1 O75907 1/20 0.42
AADAT Q8N5Z0 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL717862 0.85 ALDH1A1 (0.48) MAPTALDH1A1CA12CA1CA2
SCHEMBL5904707 0.85 ATM (0.45) MAPTALDH1A1KMT2AMEN1DGAT1
SCHEMBL717912 0.83 MAPT (0.45) MAPTALDH1A1CFTRCA12CA1
SCHEMBL14905671 0.82 MAPT (0.47) MAPTALDH1A1CFTRKDM4EKMT2A
SCHEMBL720934 0.82 CA12 (0.59) MAPTALDH1A1CA12CA1CA2
SCHEMBL719038 0.82 L3MBTL1 (0.62) MAPTALDH1A1CA12CA1CA2
SCHEMBL716746 0.81 MAPT (0.69) MAPTALDH1A1CA12CA1CA2
SCHEMBL5904830 0.79 AADAT (0.37) MAPTALDH1A1DGAT1AADATNPC1
SCHEMBL5904832 0.79 AADAT (0.37) MAPTALDH1A1DGAT1AADATNPC1
SCHEMBL3963596 0.79 PARP1 (0.57) ADORA3

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 504/4885CFTR 190/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885ALDH1A1 504/4885CFTR 190/4885

“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.