SCHEMBL8402304

SCHEMBL8402304

Cc1ccccc1Nc1ncc(-c2ccc3ccccc3c2)c2c(N)n[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.74
▸ KDR P35968 2/20 0.46
▸ IKBKB O14920 1/20 0.44
▸ DHFR P00374 1/20 0.43
▸ KIT P10721 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPKAPK2 P49137 1/20 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
SCHEMBL8402312 0.89 BTK (0.66) BTKKDRKITFLT3
SCHEMBL6115853 0.88 BTK (0.67) BTKKDRKITFLT3
SCHEMBL8402292 0.87 BTK (0.80) BTKKDRKITFLT3
SCHEMBL6115834 0.86 BTK (0.74) BTKKDRIKBKBKITFLT3
SCHEMBL1163758 0.85 BTK (1.00) BTKKDRKITFLT3
SCHEMBL6115784 0.85 BTK (0.81) BTKKDRKITFLT3ADORA2A
SCHEMBL6115528 0.84 BTK (0.72) BTKKDRIKBKBKITFLT3
SCHEMBL8402320 0.84 BTK (0.83) BTKKDRKITFLT3PIK3CD
SCHEMBL8402297 0.84 BTK (0.72) BTKKDRKITFLT3PIK3CD
SCHEMBL6115895 0.83 BTK (0.78) BTKKDRKITFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885KDR 476/4885IKBKB 564/4885

“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.

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