SCHEMBL476396

SCHEMBL476396

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
PDE4D Q08499 1/20 0.39
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL476348 0.91 CHRNA7 (0.42) TP53POLBTDP1L3MBTL1MAPT
SCHEMBL3707491 0.91 TUBB4A (0.42) TP53POLBTDP1MAPTKMT2A
SCHEMBL3692392 0.90 TP53 (0.45) TP53POLBTDP1MAPTNPC1
SCHEMBL476490 0.86 ELANE (0.40) TP53MAPTNPC1RAB9AKMT2A
SCHEMBL3701560 0.86 THRB (0.46) TP53MAPTNPC1RAB9AKMT2A
SCHEMBL476463 0.84 KMT2A (0.39) TP53TDP1L3MBTL1MAPTNPC1
SCHEMBL476502 0.80 TP53 (0.45) TP53POLBTDP1APEX1RECQL
SCHEMBL3701934 0.79 KMT2A (0.44) TP53POLBTDP1MAPTKMT2A
SCHEMBL476340 0.78 TP53 (0.45) TP53POLBTDP1MAPTKMT2A
SCHEMBL3693335 0.78 TUBB4A (0.46) TP53POLBTDP1MAPTKMT2A

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 TP53 4548/4885POLB 4231/4885TDP1 4803/4885

“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.