SCHEMBL1019767

SCHEMBL1019767

Nc1cc(Cl)n2nc(C3CC3)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.33
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
MPO P05164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLAT P00750 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE10A Q9Y233 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL5052617 0.83 PDE10A (0.43) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL13317331 0.81 GAA (0.32) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL5056012 0.81 RAB9A (0.44) PIK3CGGAAHPGDKDM4EALDH1A1
SCHEMBL13896433 0.76 PDE10A (0.40) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL3299072 0.76 KDM4E (0.45) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL13298024 0.75 DYRK1A (0.36) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL13298076 0.73 LMNA (0.33) LMNAPDE4BPDE10AFYN
SCHEMBL13298034 0.73 CCR1 (0.45) KDM4EALDH1A1MAPTNPC1LMNA
SCHEMBL1019063 0.73 KDM4E (0.47) PIK3CGHPGDKDM4EALDH1A1NPC1
SCHEMBL1019710 0.72 POLB (0.35) PIK3CGGAAHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CG 586/4885GAA 2943/4885HPGD 2479/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD PIK3CG 552/4885GAA 3010/4885HPGD 2241/4885

“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.