SCHEMBL2297064

SCHEMBL2297064

CCn1cc(Br)c2cnc(C(=O)OC)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.54
NR4A2 P43354 1/20 0.43
LCK P06239 1/20 0.42
MAPK10 P53779 2/20 0.39
USP2 O75604 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 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
SCHEMBL14152492 0.85 MAP3K5 (0.53) MAP3K5NR4A2LCKCA12CA1
SCHEMBL14151686 0.85 MAP3K5 (0.51) MAP3K5CA12CA1CA2CA9
SCHEMBL2296534 0.82 MAP3K5 (0.51) MAP3K5NR4A2LCKMAPK10ALDH1A1
SCHEMBL12348926 0.80 MAP3K5 (0.46) MAP3K5CA12CA1CA2CA9
SCHEMBL2303142 0.78 MAP3K5 (0.76) MAP3K5ALDH1A1LMNASMN1; SMN2
SCHEMBL15417914 0.77 CNR2 (0.42) MAP3K5ALDH1A1GABRPGABRDGABRA1
SCHEMBL20604768 0.76 NR4A2 (0.48) MAP3K5NR4A2MAPK10USP2ALDH1A1
SCHEMBL16471702 0.75 CNR2 (0.45) MAP3K5ALDH1A1GABRPGABRDGABRA1
SCHEMBL20604936 0.74 GABRA1 (0.46) MAP3K5NR4A2LCKMAPK10ALDH1A1
SCHEMBL2306148 0.73 MAP3K5 (0.64) MAP3K5CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403819-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-9403819-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA CALIFORNIA, INC. 2014-11-06 US disclosed
US-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA CALIFORNIA, INC. 2014-11-06 US disclosed
US-8802695-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-12 US disclosed
US-8802695-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-12 US disclosed
EP-2531501-B1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-20 EP disclosed
CN-102834393-A Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL CORP 2012-12-19 CN disclosed
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-13 US disclosed
EP-2531501-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-12-12 EP disclosed
WO-2011097079-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 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-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885NR4A2 4131/4885LCK 272/4885
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885NR4A2 4131/4885LCK 272/4885

“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.