SCHEMBL1855809

SCHEMBL1855809

Cc1nn(CC#N)c(C)c1Br

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.45
ALDH1A1 P00352 5/20 0.41
CSNK2A1 P68400 1/20 0.39
ATM Q13315 1/20 0.38
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AGTR1 P30556 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12179241 0.79 ALDH1A1 (0.47) APAF1ALDH1A1CSNK2A1NPSR1POLB
SCHEMBL13177328 0.74 APAF1 (0.50) APAF1ALDH1A1ATMHTTNPSR1
SCHEMBL8660934 0.72 APAF1 (0.53) APAF1ALDH1A1ATMHTTNPSR1
SCHEMBL6920216 0.69 APAF1 (0.50) APAF1ALDH1A1CSNK2A1ATMHTT
SCHEMBL6417827 0.69 ALDH1A1 (0.58) APAF1ALDH1A1ATMHTTNPSR1
SCHEMBL10940729 0.68 ALDH1A1 (0.33) ALDH1A1NPSR1POLBKDM4E
SCHEMBL16740133 0.68 APAF1 (0.45) APAF1ALDH1A1ATMHTTNPSR1
SCHEMBL2593177 0.68 APAF1 (0.45) APAF1ALDH1A1CSNK2A1ATMHTT
SCHEMBL29951525 0.68 APAF1 (0.49) APAF1ALDH1A1ATMHTTNPSR1
SCHEMBL1850785 0.67 APAF1 (0.47) APAF1ALDH1A1CSNK2A1ATMHTT

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
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 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 (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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA APAF1 1987/4885ALDH1A1 2279/4885CSNK2A1 951/4885

“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.