SCHEMBL476490

SCHEMBL476490

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
CHRNA7 P36544 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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 0.92 THRB (0.46) ELANETHRBMAPTKMT2AMEN1
SCHEMBL3692392 0.91 TP53 (0.45) THRBMAPTKMT2AMEN1TP53
SCHEMBL476463 0.91 KMT2A (0.39) ELANETHRBMAPTKMT2AMEN1
SCHEMBL3707491 0.90 TUBB4A (0.42) ELANETHRBMAPTKMT2AMEN1
SCHEMBL476348 0.88 CHRNA7 (0.42) THRBMAPTKMT2AMEN1TP53
SCHEMBL476396 0.86 TP53 (0.46) THRBMAPTKMT2AMEN1TP53
SCHEMBL3701934 0.79 KMT2A (0.44) THRBMAPTKMT2AMEN1TP53
SCHEMBL476340 0.79 TP53 (0.45) THRBMAPTKMT2AMEN1TP53
SCHEMBL3700956 0.79 TP53 (0.53) THRBMAPTKMT2AMEN1TP53
SCHEMBL476397 0.78 CHRNA7 (0.40) ELANETHRBMAPTKMT2AMEN1

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 ELANE 270/4885THRB 997/4885MAPT 4795/4885

“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.