SCHEMBL826153

SCHEMBL826153

CC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)C(F)(F)F)c3)c([N+](=O)[O-])c2s1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.55
KDR P35968 10/20 0.55
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
DYRK1A Q13627 2/20 0.43
NR2E3 Q9Y5X4 1/20 0.41
RAF1 P04049 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL826831 0.88 KDR (0.49) BRAFKDRMEN1KMT2AL3MBTL1
SCHEMBL826243 0.83 KMT2A (0.54) BRAFKDRMEN1KMT2APOLB
SCHEMBL826668 0.83 BRAF (0.63) BRAFKDRRAF1MAPT
SCHEMBL826773 0.80 BRAF (0.84) BRAFKDRMEN1KMT2APOLB
SCHEMBL2194124 0.80 DYRK1A (0.66) KDRMEN1KMT2APOLBL3MBTL1
SCHEMBL826287 0.79 BRAF (0.62) BRAFKDRMEN1KMT2APOLB
SCHEMBL823540 0.74 BRAF (0.78) BRAFKDRRAF1
SCHEMBL823671 0.73 BRAF (0.69) BRAFKDRDYRK1ARAF1
SCHEMBL825835 0.72 BRAF (0.79) BRAFKDRRAF1
SCHEMBL826107 0.72 KDR (0.59) BRAFKDRMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497274-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-30 US disclosed
US-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 US disclosed
US-8143258-B2 Benzothiazole compounds useful for Raf inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-27 US disclosed
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US 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-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 1130/4885MEN1 692/4885
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 1130/4885MEN1 692/4885

“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.