SCHEMBL826758

SCHEMBL826758

N#Cc1cc(N)ccc1Oc1cccc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
AR P10275 1/20 0.42
PLA2G7 Q13093 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 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
SCHEMBL826543 0.83 MEN1 (0.53) KDM4EUSP2ALDH1A1TP53MAPT
SCHEMBL826091 0.81 PLA2G7 (0.44) KDM4EUSP2ALDH1A1ARPLA2G7
SCHEMBL2191327 0.80 L3MBTL1 (0.52) ALDH1A1MAPTMAPK1HTTL3MBTL1
SCHEMBL825825 0.79 MAPT (0.46) ALDH1A1TP53MAPTHTTNPSR1
SCHEMBL826173 0.77 BRAF (0.56) CYP2C9BRAF
SCHEMBL826877 0.75 BRAF (0.58) ALDH1A1BRAF
SCHEMBL2723870 0.73 L3MBTL1 (0.65) ALDH1A1TP53MAPTL3MBTL1CYP1A2
SCHEMBL826431 0.73 SLC22A12 (0.39) KDM4EUSP2ALDH1A1ARPLA2G7
SCHEMBL2335120 0.73 FNTA (0.44) KDM4EUSP2ALDH1A1TP53MAPT
SCHEMBL6814419 0.73 ABCC9 (0.46) KDM4EUSP2ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358689-B9 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL (JP) 2016-08-03 EP disclosed
EP-2358689-B1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL (JP) 2015-09-30 EP disclosed
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
EP-2358689-A1 Benzothiazole derivatives as anticancer agents Takeda Pharmaceutical Company Limited (JP) 2011-08-24 EP disclosed
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
WO-2010064722-A1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 WO 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 KDM4E 1956/4885USP2 3659/4885ALDH1A1 1236/4885
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 KDM4E 1956/4885USP2 3659/4885ALDH1A1 1236/4885

“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.