SCHEMBL476348

SCHEMBL476348

CCOC(=O)c1cc(Sc2ccc(F)cc2)n(-c2cccnc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 2/20 0.40
SLC34A1 Q06495 1/20 0.40
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
MMP13 P45452 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 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
SCHEMBL3692392 0.93 TP53 (0.45) MAPTNPSR1GAATHRBTP53
SCHEMBL476396 0.91 TP53 (0.46) MAPTGAAKDM4EL3MBTL1THRB
SCHEMBL3701560 0.90 THRB (0.46) CHRNA7MAPTGAAKDM4ETHRB
SCHEMBL476490 0.88 ELANE (0.40) CHRNA7MAPTGAATHRBTP53
SCHEMBL476463 0.87 KMT2A (0.39) MAPTNPSR1GAAL3MBTL1THRB
SCHEMBL3707491 0.86 TUBB4A (0.42) MAPTNPSR1THRBTP53KMT2A
SCHEMBL3701934 0.81 KMT2A (0.44) MAPTGAATHRBTP53KMT2A
SCHEMBL476340 0.81 TP53 (0.45) CHRNA7MAPTNPSR1GAAKDM4E
SCHEMBL3700956 0.80 TP53 (0.53) MAPTNPSR1GAATHRBTP53
SCHEMBL476450 0.79 CHRNA7 (0.50) CHRNA7GAATHRBTP53SLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412713-B1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2412713-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-02-01 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 (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-20120095057-A1 PYRAZOLE COMPOUND CEL, HRH2, GIPR CHRNA7 2192/4885MAPT 4795/4885NPSR1 391/4885

“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.