SCHEMBL1018451

SCHEMBL1018451

CC(C)(O)c1ccc(C(=O)Nc2cc(N3CCCC(C(=O)O)C3)n3nccc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAF1 P04049 3/20 0.39
BRAF P15056 3/20 0.39
MAP3K5 Q99683 3/20 0.39
BTK Q06187 4/20 0.38
IDH2 P48735 1/20 0.37
HTR1D P28221 2/20 0.35
HTR3A P46098 2/20 0.35
HTR6 P50406 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1B P28222 1/20 0.35
MAPK8 P45983 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MRGPRX2 Q96LB1 1/20 0.35

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
SCHEMBL1523347 1.00 KDM4E (0.39) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL1523448 1.00 KDM4E (0.39) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL1018923 0.94 MEN1 (0.40) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL1522937 0.92 RAF1 (0.39) KDM4EALDH1A1KMT2AHSD17B10RAF1
SCHEMBL1072440 0.92 RAF1 (0.39) KDM4EALDH1A1KMT2AHSD17B10RAF1
SCHEMBL1523587 0.92 RAF1 (0.39) KDM4EALDH1A1KMT2AHSD17B10RAF1
SCHEMBL1523576 0.92 KDM4E (0.39) KDM4EMEN1KMT2ARAF1BRAF
SCHEMBL1523915 0.92 KDM4E (0.39) KDM4EMEN1KMT2ARAF1BRAF
SCHEMBL1523571 0.92 KDM4E (0.39) KDM4EMEN1KMT2ARAF1BRAF
SCHEMBL1524156 0.91 PIK3CD (0.42) KDM4ERAF1BRAFMAP3K5BTK

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 10 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 claimed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 US claimed
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 claimed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US 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 KDM4E 2251/4885MEN1 3266/4885ALDH1A1 2965/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD KDM4E 2159/4885MEN1 3290/4885ALDH1A1 2573/4885

“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.