SCHEMBL6116264

SCHEMBL6116264

Nc1n[nH]c2nc(-c3cccc(C(=O)Nc4cc5ccccc5[nH]4)c3)cc(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.51
▸ KIT P10721 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ KDR P35968 3/20 0.40
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ MET P08581 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ PRKACA P17612 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
SCHEMBL6115598 0.87 BTK (0.58) BTKKITFLT3KDRPLK4
SCHEMBL6115982 0.85 BTK (0.56) BTKKITFLT3
SCHEMBL6116478 0.84 BTK (0.64) BTK
SCHEMBL6115612 0.82 BTK (0.57) BTK
SCHEMBL6116157 0.81 NPC1 (0.53) BTKKDRAURKAAURKBNPC1
SCHEMBL1163048 0.79 BTK (0.53) BTKKITFLT3KDRPLK4
SCHEMBL6116586 0.79 BTK (0.61) BTK
SCHEMBL18780342 0.79 BTK (0.39) BTKKITFLT3SIRT2KDR
SCHEMBL6116036 0.78 BTK (0.56) BTK
SCHEMBL6115424 0.78 BTK (0.76) BTKCHEK2

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 10 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
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-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 1/4885KIT 779/4885FLT3 54/4885

“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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