SCHEMBL1074216

SCHEMBL1074216

CCc1cc2nc(NC(=O)c3ccc(C(=O)OC)cc3)cc(Cl)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ ADCY8 P40145 1/20 0.39
▸ ADCY1 Q08828 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNB4 P30926 3/20 0.39
▸ CHRNA3 P32297 3/20 0.39
▸ CHRNA4 P43681 3/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL1524794 0.87 MAP3K5 (0.44) ADCY8ADCY1
SCHEMBL1073500 0.85 NPC1 (0.46) NPC1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1523925 0.82 ORAI1 (0.43) NPC1PDE4BF2KMT2AHSD17B10
SCHEMBL1071485 0.81 POLB (0.42) NPC1PDE4BF2KMT2AHSD17B10
SCHEMBL1524032 0.77 MAPK1 (0.46) NPC1KMT2ARAB9ALMNAKDM4E
SCHEMBL12838092 0.74 NPC1 (0.43) NPC1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1017496 0.73 MAP3K5 (0.46) NPC1KMT2ARAB9ASMN1; SMN2TP53
SCHEMBL1523348 0.73 ADORA3 (0.44) NPC1ADCY1KMT2AMAPTRAB9A
SCHEMBL1523956 0.72 TRPV1 (0.44) NPC1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1523962 0.72 MAP3K5 (0.54) NPC1ADCY8ADCY1KMT2AMAPT

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 NPC1 2057/4885ADCY8 2323/4885ADCY1 1868/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD NPC1 1900/4885ADCY8 2469/4885ADCY1 1799/4885

“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.

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