SCHEMBL6115834

SCHEMBL6115834

Cc1ccccc1Nc1ncc(-c2cccc(N)c2)c2c(N)n[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.74
▸ KDR P35968 8/20 0.42
▸ KIT P10721 3/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ MAP4K4 O95819 2/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ DCLK1 O15075 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ MAPK13 O15264 1/20 0.37

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
SCHEMBL8402292 0.90 BTK (0.80) BTKKDRKITFLT3MAP4K4
SCHEMBL6115528 0.90 BTK (0.72) BTKKDRKITFLT3MAP4K4
SCHEMBL6115784 0.88 BTK (0.81) BTKKDRKITFLT3PIK3CA
SCHEMBL6115714 0.87 BTK (0.68) BTKKDRKITFLT3MAP4K4
SCHEMBL8402304 0.86 BTK (0.74) BTKKDRKITFLT3PIK3CD
SCHEMBL6115895 0.86 BTK (0.78) BTKKDRKITFLT3FGFR1
SCHEMBL6115716 0.85 BTK (1.00) BTKKDRKITFLT3
SCHEMBL8402297 0.85 BTK (0.72) BTKKDRKITFLT3JAK1
SCHEMBL8402311 0.85 BTK (0.76) BTKKDRKITFLT3
SCHEMBL6116447 0.85 BTK (0.68) BTKKDRKITFLT3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — US claimed
EP-2789615-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 — — 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-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
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 — — US 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 476/4885KIT 779/4885

“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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