SCHEMBL2194286

SCHEMBL2194286

N#CC1(c2cccc(C(=O)Nc3cccc(Oc4ccc(N)cc4)c3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PLAU P00749 1/20 0.46
FFAR1 O14842 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPSE Q9Y251 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
AR P10275 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 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
SCHEMBL2851251 0.88 CDK8 (0.52) BRAF
SCHEMBL2190036 0.86 FFAR1 (0.66) BRAFMEN1KMT2AFFAR1ALDH1A1
SCHEMBL2195102 0.85 AR (0.46) BRAFMEN1KMT2ANR1H4ALDH1A1
SCHEMBL2192962 0.85 BRAF (0.41) BRAFMEN1KMT2AALDH1A1NPC1
SCHEMBL2191722 0.85 RAB9A (0.55) BRAFMEN1KMT2AALDH1A1NPC1
SCHEMBL2855325 0.84 BRAF (0.47) BRAFMEN1KMT2APLAUHPSE
SCHEMBL2194069 0.84 NPC1 (0.50) BRAFMEN1KMT2APLAUALDH1A1
SCHEMBL21357219 0.81 BRAF (0.49) BRAFMEN1KMT2AALDH1A1NPC1
SCHEMBL29503403 0.81 BRAF (0.49) BRAFMEN1KMT2AALDH1A1NPC1
SCHEMBL2860370 0.80 BRAF (0.47) BRAFMEN1KMT2APLAUALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885MEN1 654/4885KMT2A 770/4885

“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.