SCHEMBL2192170

SCHEMBL2192170

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.55
CYP2C9 P11712 5/20 0.55
HCK P08631 1/20 0.52
NR2C2 P49116 1/20 0.52
BTK Q06187 1/20 0.52
GAA P10253 1/20 0.51
RAF1 P04049 1/20 0.51
YES1 P07947 1/20 0.51

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
SCHEMBL827485 0.81 MEN1 (0.62) BRAFCYP2C9
SCHEMBL29877734 0.81 BRAF (0.56) BRAFCYP2C9RAF1YES1
SCHEMBL2196658 0.81 BRAF (0.66) BRAFCYP2C9RAF1YES1
SCHEMBL2191947 0.81 BRAF (0.52) BRAFCYP2C9HCKNR2C2BTK
SCHEMBL14819854 0.81 BRAF (0.69) BRAFCYP2C9RAF1YES1
SCHEMBL1698068 0.80 BRAF (0.65) BRAFCYP2C9RAF1YES1
SCHEMBL18196115 0.80 BRAF (0.75) BRAFCYP2C9HCKNR2C2BTK
SCHEMBL26075765 0.80 BRAF (0.54) BRAFCYP2C9GAARAF1
SCHEMBL20577960 0.79 BRAF (0.59) BRAFCYP2C9RAF1YES1
SCHEMBL1697890 0.79 BRAF (0.59) BRAFCYP2C9RAF1YES1

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 1/4885CYP2C9 1933/4885HCK 742/4885
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885CYP2C9 2054/4885HCK 858/4885

“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.