SCHEMBL1180189

SCHEMBL1180189

CC(C)(C)OC(=O)c1ccc(-c2ccc(F)c(C#N)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.42
CNR2 P34972 1/20 0.38
CACNA1H O95180 1/20 0.37
S1PR1 P21453 1/20 0.37
PGR P06401 1/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSC P53634 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL1180133 0.83 RPA1 (0.42) RPA1CNR2S1PR1PGRALDH1A1
SCHEMBL3828979 0.81 CNR2 (0.37) RPA1CNR2CACNA1HS1PR1PGR
SCHEMBL922038 0.81 RPA1 (0.63) RPA1CNR2S1PR1PGRALDH1A1
SCHEMBL6654063 0.75 TRPA1 (0.48) CNR2TRPA1GPR119
SCHEMBL4631024 0.73 CNR2 (0.43) RPA1CNR2S1PR1PGRNR4A1
SCHEMBL3831419 0.72 PGR (0.39) RPA1CNR2PGRALDH1A1KDM4E
SCHEMBL2988579 0.72 CACNA1H (0.45) CACNA1HS1PR1TRPA1ALDH1A1
SCHEMBL2657643 0.71 GRM4 (0.41) CNR2TRPA1ALDH1A1KDM4EEGLN2
SCHEMBL13443543 0.70 LIPG (0.43) CACNA1HS1PR1PGRTRPA1ALDH1A1
SCHEMBL22835128 0.69 HDAC4 (0.44) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884126-B2 serum and glucocorticoid dependent kinase (SGT)and serine/threonine kinase checkpoint kinase (CHK) inhibitors such as 5-(3-Benzoylamino-1H-indazol-5-yl)furan-2-carboxylic acid, used for the treatment of cancer MERCK PATENT GMBH (DE) 2011-02-08 US disclosed
US-7884126-B2 serum and glucocorticoid dependent kinase (SGT)and serine/threonine kinase checkpoint kinase (CHK) inhibitors such as 5-(3-Benzoylamino-1H-indazol-5-yl)furan-2-carboxylic acid, used for the treatment of cancer MERCK PATENT GMBH (DE) 2011-02-08 US disclosed
US-7884126-B2 serum and glucocorticoid dependent kinase (SGT)and serine/threonine kinase checkpoint kinase (CHK) inhibitors such as 5-(3-Benzoylamino-1H-indazol-5-yl)furan-2-carboxylic acid, used for the treatment of cancer MERCK PATENT GMBH (DE) 2011-02-08 US disclosed
EP-1981878-B1 INDAZOLE HETEROARYL DERIVATIVES MERCK PATENT GMBH (DE) 2009-08-26 EP disclosed
US-20090076091-A1 INDAZOLE-HETEROARYL DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-19 US disclosed
US-20090076091-A1 INDAZOLE-HETEROARYL DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-19 US disclosed
US-20090076091-A1 INDAZOLE-HETEROARYL DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-19 US disclosed
US-20090036508-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
US-20090036508-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
US-20090036508-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
WO-2007090493-A1 INDAZOLE HETEROARYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-08-16 WO disclosed
WO-2007090494-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-08-16 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-20090076091-A1 INDAZOLE-HETEROARYL DERIVATIVES CHEK2, CHEK1, SGK3 RPA1 790/4885CNR2 3067/4885CACNA1H 4558/4885
US-20090036508-A1 AMINO INDAZOLE DERIVATIVES CHEK1, CHEK2, SGK3 RPA1 430/4885CNR2 3437/4885CACNA1H 4581/4885

“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.