SCHEMBL718166

SCHEMBL718166

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
F2 P00734 1/20 0.48
MAPT P10636 1/20 0.48
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
AURKA O14965 3/20 0.40
CYP1B1 Q16678 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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
SCHEMBL719038 0.88 L3MBTL1 (0.62) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL718941 0.87 ALDH1A1 (0.55) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL720074 0.82 MAPT (0.45) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL716746 0.82 MAPT (0.69) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL720934 0.79 CA12 (0.59) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL721457 0.79 MAPT (0.54) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL717862 0.78 ALDH1A1 (0.48) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL718378 0.76 MAPT (0.48) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL6175085 0.76 CA12 (0.62) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL6052367 0.75 L3MBTL1 (0.63) KMT2AALDH1A1L3MBTL1MEN1MAPT

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 KMT2A 1298/4885ALDH1A1 504/4885L3MBTL1 4088/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885ALDH1A1 504/4885L3MBTL1 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.