SCHEMBL1163048

SCHEMBL1163048

CC(=O)Nc1cccc(-c2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.53
▸ FYN P06241 3/20 0.48
▸ KDR P35968 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ USP7 Q93009 1/20 0.45
▸ ATR Q13535 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ INSR P06213 1/20 0.44

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
SCHEMBL13329711 0.92 SMN1; SMN2 (0.50) FYNKDRNPC1TP53GAA
SCHEMBL6115878 0.91 BTK (0.58) BTKKDRPLK4AURKAJAK2
SCHEMBL6115612 0.90 BTK (0.57) BTKATR
SCHEMBL6115598 0.88 BTK (0.58) BTKKDRPLK4AURKAJAK2
SCHEMBL6116478 0.86 BTK (0.64) BTK
SCHEMBL1165452 0.85 BTK (0.51) BTKKDRNPC1LMNARAB9A
SCHEMBL6116586 0.84 BTK (0.61) BTK
SCHEMBL8401462 0.84 BTK (0.56) BTK
SCHEMBL6116227 0.84 MKNK1 (0.61) BTK
SCHEMBL6116036 0.84 BTK (0.56) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789614-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-04-26 — — EP claimed
EP-2789614-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 — — EP claimed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — US claimed
EP-2789614-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-04-26 — — EP disclosed
EP-2789614-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-04-26 — — EP disclosed
EP-2789614-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 — — EP disclosed
EP-2789614-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
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
WO-2011019780-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-17 — — WO 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 1/4885FYN 85/4885KDR 476/4885

“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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