SCHEMBL1162829

SCHEMBL1162829

N#Cc1c(O)nc(O)nc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.50
ADORA1 P30542 13/20 0.48
ADORA2A P29274 10/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
ADORA2B P29275 3/20 0.44
DHODH Q02127 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL13857839 0.87 ALDH1A1 (0.50) ERBB2ADORA1ADORA2AALDH1A1HPGD
SCHEMBL32688280 0.86 ADORA1 (0.58) ADORA1ADORA2AALDH1A1HPGDADORA2B
SCHEMBL8402351 0.78 ALDH1A1 (0.49) ERBB2ADORA1ADORA2AALDH1A1HPGD
SCHEMBL19665238 0.77 ADORA1 (0.69) ADORA1ADORA2AADORA2B
SCHEMBL1162660 0.77 ALDH1A1 (0.60) ERBB2ADORA1ADORA2AALDH1A1HPGD
SCHEMBL1162755 0.74 ALDH1A1 (0.51) ERBB2ADORA1ADORA2AALDH1A1HPGD
SCHEMBL1162824 0.74 ALDH1A1 (0.81) ERBB2ADORA1ADORA2AALDH1A1HPGD
SCHEMBL13857777 0.74 GPR84 (0.42) ERBB2ALDH1A1HPGDDHODH
SCHEMBL1163234 0.73 ALDH1A1 (0.52) ERBB2ADORA1ADORA2AALDH1A1HPGD
SCHEMBL22208277 0.73 ADORA1 (0.66) ADORA1ADORA2AALDH1A1HPGDADORA2B

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
EP-2464647-B1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2016-09-21 EP disclosed
EP-2464647-B1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2016-09-21 EP disclosed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
EP-2464647-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF Bristol-Myers Squibb Company (US) 2012-06-20 EP disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 US disclosed
WO-2011019780-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-17 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-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 ERBB2 23/4885ADORA1 706/4885ADORA2A 777/4885

“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.