SCHEMBL1019710

SCHEMBL1019710

Nc1cc(Cl)n2nc(C(F)(F)F)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CA2 P00918 1/20 0.34
CHKA P35790 1/20 0.34
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL31417240 0.84 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10GRIN1GRIN2A
SCHEMBL31417122 0.83 PDE10A (0.44) KDM4EALDH1A1HSD17B10GRIN1GRIN2A
SCHEMBL31417248 0.80 AURKA (0.42) KDM4EALDH1A1GRIN1GRIN2AL3MBTL1
SCHEMBL31417213 0.78 RAD51 (0.38) KDM4EALDH1A1HSD17B10GRIN1GRIN2A
SCHEMBL31417102 0.76 GRIN1 (0.38) GRIN1GRIN2AALPITP53
SCHEMBL1072200 0.76
SCHEMBL1019063 0.74 KDM4E (0.47) POLBKDM4EALDH1A1L3MBTL1TP53
SCHEMBL1019767 0.72 PIK3CG (0.33) KDM4EALDH1A1TP53GAAHPGD
SCHEMBL20450019 0.71 PTGS2 (0.39) POLBKDM4EALDH1A1GRIN1GRIN2A
SCHEMBL31417165 0.71 NT5E (0.38) KDM4EALDH1A1HSD17B10GRIN1GRIN2A

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-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP claimed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 WO claimed
US-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 US disclosed
US-8461163-B2 Substituted N-(pyrazolo[1,5-a]pyrimidin-5-yl)amides as inhibitors of apoptosis signal-regulating kinase 1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US disclosed
EP-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD POLB 3038/4885CA2 3611/4885CHKA 1074/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD POLB 2908/4885CA2 3576/4885CHKA 1106/4885

“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.