SCHEMBL8402333

SCHEMBL8402333

COc1cccc(-c2cnc(Nc3c(C)cc(C)cc3C)c3[nH]nc(N)c23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.74
▸ KDR P35968 2/20 0.46
▸ RAPGEF4 Q8WZA2 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ KIT P10721 2/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CLK4 Q9HAZ1 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
SCHEMBL8402322 0.89 BTK (0.71) BTKKDRADORA2AADORA1PIK3CA
SCHEMBL6115784 0.86 BTK (0.81) BTKKDRSRCADORA2AADORA1
SCHEMBL6115583 0.85 BTK (1.00) BTKKDRSRCADORA2AADORA1
SCHEMBL8402235 0.82 BTK (0.75) BTKKDRSRCADORA2AADORA1
SCHEMBL6115895 0.77 BTK (0.78) BTKKDRDHODHKITFLT3
SCHEMBL6115716 0.76 BTK (1.00) BTKKDRDHODHKITFLT3
SCHEMBL8402311 0.76 BTK (0.76) BTKKDRADORA2AADORA1DHODH
SCHEMBL18800786 0.75 RAPGEF4 (0.44) BTKRAPGEF4SRCADORA2AADORA1
SCHEMBL1163758 0.75 BTK (1.00) BTKKDRSRCKITFLT3
SCHEMBL6115528 0.74 BTK (0.72) BTKKDRADORA1PIK3CAKIT

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 1/4885KDR 476/4885RAPGEF4 1112/4885

“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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