SCHEMBL8401672

SCHEMBL8401672

Nc1n[nH]c2cncc(-c3ccc4ccccc4c3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.57
▸ KDM4E B2RXH2 1/20 0.54
▸ KDR P35968 10/20 0.49
▸ LCK P06239 4/20 0.49
▸ CSF1R P07333 4/20 0.49
▸ KIT P10721 3/20 0.49
▸ FLT3 P36888 3/20 0.49
▸ LYN P07948 3/20 0.49
▸ SRC P12931 3/20 0.49
▸ FLT1 P17948 3/20 0.49
▸ BLK P51451 3/20 0.49
▸ FYN P06241 2/20 0.49
▸ FLT4 P35916 2/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ IKBKB O14920 1/20 0.49
▸ DHFR P00374 1/20 0.48
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ PIK3CG P48736 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
SCHEMBL6115998 0.84 BTK (0.62) BTKKDRLCKCSF1RKIT
SCHEMBL29968063 0.83 KDR (0.66) KDRLCKCSF1RKITFLT3
SCHEMBL28871219 0.83 KDR (0.66) KDRLCKCSF1RKITFLT3
SCHEMBL5555113 0.82 JAK2 (0.55) BTKKDRLCKCSF1RKIT
SCHEMBL6115425 0.80 BTK (0.67) BTKKDRLCKCSF1RKIT
SCHEMBL1703256 0.79 BTK (0.67) BTKKDRLCKCSF1RKIT
SCHEMBL6116012 0.77 BTK (0.57) BTKKDM4EKDRLCKCSF1R
SCHEMBL8401736 0.77 BTK (0.48) BTKKDM4EKDRLCKCSF1R
SCHEMBL6115984 0.77 BTK (0.51) BTKKDRLCKCSF1RKIT
SCHEMBL6116428 0.77 BTK (0.54) BTKKDRLCKCSF1RKIT

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 11 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 claimed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — US claimed
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
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
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 1/4885KDM4E 728/4885KDR 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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