SCHEMBL1071485

SCHEMBL1071485

COC(=O)c1ccc(C(=O)Nc2cc(Cl)n3nc(C4CC4)cc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PDE4B Q07343 1/20 0.41
▸ PSD A5PKW4 1/20 0.40
▸ CCNA2 P20248 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CCNA1 P78396 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ APP P05067 1/20 0.38

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
SCHEMBL14999784 0.87 MAP3K5 (0.43) POLBHPGDCCNA2CDK2CCNA1
SCHEMBL1073500 0.84 NPC1 (0.46) POLBHPGDCYP1A2CYP2C9NPC1
SCHEMBL1523925 0.82 ORAI1 (0.43) POLBHPGDCYP1A2CYP2D6CYP2C9
SCHEMBL1074216 0.81 NPC1 (0.46) POLBPDE4BNPC1KDM4EMAPT
SCHEMBL1524032 0.73 MAPK1 (0.46) POLBNPC1KDM4EALDH1A1KMT2A
SCHEMBL1524004 0.73 MAP3K5 (0.45) HPGDCCNA2CDK2CCNA1KDM4E
SCHEMBL12838092 0.73 NPC1 (0.43) POLBNPC1KDM4EALDH1A1MAPT
SCHEMBL1523956 0.71 TRPV1 (0.44) NPC1KMT2ALMNAADORA3
SCHEMBL1523962 0.70 MAP3K5 (0.54) POLBCDK2NPC1ALDH1A1MAPT
SCHEMBL1523916 0.70 MAP3K5 (0.43) HPGDPDE4BCCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD POLB 2908/4885HPGD 2241/4885CYP1A2 3696/4885

“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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