SCHEMBL2193789

SCHEMBL2193789

Cc1ccc(O)cc1NC(=O)c1cccc(C2(C#N)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
RAF1 P04049 2/20 0.45
TP53 P04637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 4/20 0.43

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
SCHEMBL2193755 0.82 BRAF (0.53) BRAFALDH1A1MAPTKDM4ETP53
SCHEMBL2192962 0.81 BRAF (0.41) BRAFALDH1A1MAPTTDP1HDAC6
SCHEMBL2851289 0.81 MEN1 (0.61) BRAFALDH1A1MAPTKDM4ETP53
SCHEMBL15495144 0.79 BRAF (0.40) BRAFALDH1A1MAPTTDP1KDM4E
SCHEMBL29878139 0.79 BRAF (0.52) BRAFALDH1A1MAPTKDM4ERAF1
SCHEMBL2194430 0.79 KMT2A (0.54) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL2853234 0.78 BRAF (0.42) BRAFALDH1A1MAPTTDP1KDM4E
SCHEMBL1697958 0.76 BRAF (0.48) BRAFMAPTTDP1TP53LMNA
SCHEMBL5009701 0.76 BRAF (0.61) BRAFALDH1A1MAPTTDP1HDAC6
SCHEMBL2858573 0.75 MAPT (0.48) BRAFALDH1A1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 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 (2 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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885ALDH1A1 1157/4885MAPT 3535/4885
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885ALDH1A1 625/4885MAPT 4439/4885

“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.