SCHEMBL476463

SCHEMBL476463

CCOC(=O)c1cc(Sc2cccc(Br)c2)n(-c2cccnc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 1/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3701560 0.91 THRB (0.46) KMT2ANPC1MEN1THRBTP53
SCHEMBL476490 0.91 ELANE (0.40) KMT2ANPC1MEN1THRBTP53
SCHEMBL3692392 0.89 TP53 (0.45) KMT2ANPC1MEN1THRBTP53
SCHEMBL3707491 0.88 TUBB4A (0.42) KMT2AMEN1THRBTP53ALDH1A1
SCHEMBL476348 0.87 CHRNA7 (0.42) KMT2ANPC1MEN1THRBTP53
SCHEMBL2838319 0.84 THRB (0.43) KMT2ATHRBTP53ALDH1A1MAPT
SCHEMBL476396 0.84 TP53 (0.46) KMT2ANPC1MEN1THRBTP53
SCHEMBL2843065 0.84 PDE4B (0.48) KMT2ANPC1MEN1THRBTP53
SCHEMBL476334 0.79 CHRNA7 (0.39) KMT2ANPC1MEN1THRBTP53
SCHEMBL3701934 0.78 KMT2A (0.44) KMT2AMEN1THRBTP53ALDH1A1

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 8 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
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 KMT2A 4584/4885NPC1 520/4885MEN1 1411/4885

“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.