SCHEMBL233946

SCHEMBL233946

COc1ccc(Br)cc1C(=O)Nc1csc(-c2nncn2C2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
STAT3 P40763 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
HSD17B10 Q99714 2/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL231507 0.79 MAP3K5 (0.40)
SCHEMBL235423 0.73 MAP3K5 (0.48)
SCHEMBL233804 0.71 MAP3K5 (0.59)
SCHEMBL234917 0.69 MAP3K5 (0.50)
SCHEMBL16354008 0.67 MAP3K5 (0.54) STAT3SMN1; SMN2MAPTKMT2APOLB
SCHEMBL234032 0.67 MAP3K5 (0.61)
SCHEMBL233465 0.67 MAP3K5 (0.61)
SCHEMBL24118888 0.67 POLB (0.78) ALDH1A1CYP1A2CYP2C9CYP2C19STAT3
SCHEMBL1353326 0.65 ALDH1A1 (0.78) ALDH1A1CYP1A2CYP2C9CYP2C19STAT3
SCHEMBL16448830 0.64 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP2C9CYP2C19STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48150-E1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2020-08-11 US disclosed
EP-2588475-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-05-20 EP disclosed
US-8927582-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
EP-2588475-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 ALDH1A1 3284/4885CYP1A2 2336/4885CYP2C9 4201/4885
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 ALDH1A1 3284/4885CYP1A2 2336/4885CYP2C9 4201/4885

“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.