SCHEMBL1069309

SCHEMBL1069309

Nc1cc(=O)n2nc(C3CC3)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAT P00750 5/20 0.51
PARP1 P09874 1/20 0.45
PDE4B Q07343 1/20 0.32
PDE3A Q14432 1/20 0.32
YTHDF2 Q9Y5A9 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL13297993 0.76 PARP1 (0.49) PLATPARP1NPC1LMNATP53
SCHEMBL3299031 0.74 PLAT (0.44) PLATPARP1
SCHEMBL20450053 0.73 PLAT (0.46) PLATPARP1PDE4BPDE3AYTHDF2
SCHEMBL5055420 0.72 PLAT (0.62) PLATPARP1YTHDF2NPC1RAB9A
SCHEMBL1071277 0.70 HPGD (0.38) PARP1PDE4BPDE3ALMNA
SCHEMBL4053090 0.68 PARP1 (0.88) PARP1
SCHEMBL21279622 0.67 PLAT (0.41) PLATPARP1YTHDF2SMN1; SMN2
SCHEMBL31001871 0.65 PLAT (0.50) PLATPARP1PDE4BPDE3AYTHDF2
SCHEMBL21181903 0.64 PLAT (0.69) PLATPARP1
SCHEMBL23918427 0.64 PLAT (0.43) PLATPARP1

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 7 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
WO-2011041293-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 WO 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 PLAT 3347/4885PARP1 294/4885PDE4B 2691/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD PLAT 3396/4885PARP1 254/4885PDE4B 2763/4885

“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.