SCHEMBL2193755

SCHEMBL2193755

Cc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.53
NPC1 O15118 7/20 0.51
KMT2A Q03164 6/20 0.51
RAB9A P51151 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
PARP1 P09874 1/20 0.44
THRB P10828 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNH2 Q12809 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL29878139 0.88 BRAF (0.52) BRAFNPC1KMT2ARAB9AMEN1
SCHEMBL2190481 0.86 NPC1 (0.60) BRAFNPC1KMT2ARAB9AMEN1
SCHEMBL2851289 0.83 MEN1 (0.61) BRAFNPC1KMT2ARAB9AMEN1
SCHEMBL2193789 0.82 BRAF (0.46) BRAFNPC1KMT2ARAB9AMEN1
SCHEMBL2195102 0.80 AR (0.46) BRAFNPC1KMT2ARAB9AMEN1
SCHEMBL2857381 0.77 BRAF (0.47) BRAFNPC1KMT2ARAB9AMEN1
SCHEMBL2194097 0.77 CRHBP (0.52) BRAFNPC1KMT2ARAB9AMEN1
SCHEMBL1697958 0.76 BRAF (0.48) BRAFMAPTLMNAPOLBTP53
SCHEMBL5009701 0.76 BRAF (0.61) BRAFNPC1KMT2ARAB9AMEN1
SCHEMBL29272118 0.75 LCK (0.51) BRAF

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 1/4885NPC1 3493/4885KMT2A 770/4885
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885NPC1 3266/4885KMT2A 974/4885

“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.