SCHEMBL8402087

SCHEMBL8402087

Nc1n[nH]c2c(-c3ccc4occc4c3)ncc(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.69
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ PIK3CD O00329 1/20 0.39
▸ NUDT14 O95848 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ NUDT5 Q9UKK9 1/20 0.39

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
SCHEMBL6115741 0.87 BTK (0.78) BTKADORA2AADORA1
SCHEMBL1162679 0.85 BTK (0.87) BTKPIK3CDNUDT14PIK3CAPIK3CB
SCHEMBL6115775 0.84 BTK (0.89) BTKPIK3CDNUDT14PIK3CAPIK3CB
SCHEMBL8401995 0.83 BTK (0.75) BTKADORA1
SCHEMBL6115738 0.82 BTK (0.77) BTKADORA2AADORA1
SCHEMBL16161462 0.82 BTK (0.74) BTKPIK3CDNUDT14PIK3CAPIK3CB
SCHEMBL18783253 0.82 BTK (0.77) BTKPIK3CDNUDT14PIK3CAPIK3CB
SCHEMBL6115850 0.82 BTK (0.80) BTKADORA1
SCHEMBL6115979 0.82 BTK (1.00) BTK
SCHEMBL6115680 0.82 BTK (0.70) BTKADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
EP-2789615-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 — — 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-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 BTK 1/4885ADORA2A 777/4885ADORA1 706/4885

“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.

Send feedback