SCHEMBL1708016

SCHEMBL1708016

COC(=O)c1cccc(-n2c(C)nc3ccccc32)c1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
MYC P01106 1/20 0.47
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL1708045 0.78 ALDH1A1 (0.51) TSHRMYCPOLBHPGDALDH1A1
SCHEMBL1708020 0.76 L3MBTL1 (0.52) TSHRMYCMAPK1POLBSLC22A12
SCHEMBL1707974 0.75 MAPK1 (0.47) TSHRMYCMAPK1POLBSLC22A12
SCHEMBL1707968 0.75 TSHR (0.47) TSHRMYCHTTPOLBKMT2A
SCHEMBL1708108 0.75 POLB (0.53) TSHRMYCPOLBKMT2AMAPT
SCHEMBL22507414 0.74 TSHR (0.72) TSHRMAPK1HTTPOLBSLC22A12
SCHEMBL1707966 0.74 ALDH1A1 (0.44) TSHRMYCPOLBMAPTKDM4E
SCHEMBL19486460 0.73 TSHR (0.82) TSHRMAPK1HTTPOLBKMT2A
SCHEMBL1707881 0.73 TSHR (0.46) TSHRMYCHTTPOLBKMT2A
SCHEMBL1708100 0.73 RAB9A (0.51) TSHRMYCMAPK1POLBMAPT

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO 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 (1 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R TSHR 637/4885MYC 1736/4885MAPK1 326/4885

“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.