SCHEMBL2296534

SCHEMBL2296534

COC(=O)c1cc2c(cn1)c(Br)cn2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.51
LCK P06239 1/20 0.45
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40

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
SCHEMBL20604936 0.89 GABRA1 (0.46) MAP3K5LCKALDH1A1NPSR1GABRP
SCHEMBL2302136 0.84 MAP3K5 (0.51) MAP3K5LCKALDH1A1NPSR1GABRP
SCHEMBL2303663 0.84 MAP3K5 (0.48) MAP3K5ALDH1A1GABRPGABRDGABRA1
SCHEMBL2297064 0.82 MAP3K5 (0.54) MAP3K5LCKALDH1A1NPSR1GABRP
SCHEMBL12348927 0.78 MAP3K5 (0.43) MAP3K5
SCHEMBL19493617 0.77 LCK (0.45) LCKALDH1A1NPSR1GABRPGABRD
SCHEMBL12348924 0.76 MAP3K5 (0.74) MAP3K5
SCHEMBL19475662 0.74 HSD17B10 (0.47) MAP3K5LCKALDH1A1CYP1A2CYP2C19
SCHEMBL31632933 0.74 HSD17B10 (0.47) MAP3K5LCKALDH1A1CYP1A2CYP2C19
SCHEMBL31491983 0.73 POLB (0.40) LCKALDH1A1NPSR1KDM4EMAPT

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-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
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 8/4885LCK 272/4885ALDH1A1 2965/4885
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885LCK 272/4885ALDH1A1 2965/4885

“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.