SCHEMBL1164851

SCHEMBL1164851

CC(C)(C)OC(=O)NCc1cccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c(C#N)c2F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ GRM2 Q14416 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ NAMPT P43490 2/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ GLS O94925 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MAPK14 Q16539 2/20 0.38
▸ BTK Q06187 1/20 0.38
▸ CCKBR P32239 1/20 0.38

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
SCHEMBL1162688 0.89 CD274 (0.42) GRM2MAPK14BTK
SCHEMBL1162802 0.89 GRM2 (0.43) GRM2MAPK14BTK
SCHEMBL8401924 0.81 GRM2 (0.45) GRM2BTK
SCHEMBL18800622 0.80 GRM2 (0.39) GRM2CKS1BSKP1SKP2NAMPT
SCHEMBL8568889 0.80 BTK (0.61) BRD4CREBBPBTK
SCHEMBL6115396 0.79 GRM2 (0.45) GRM2BTK
SCHEMBL27812229 0.73 MAPK14 (0.49) GRM2GLSMAPK14
SCHEMBL18664426 0.72 HDAC1 (0.60) CTSSCTSKCTSBBRD4GLS
SCHEMBL23960602 0.71 EPHX1 (0.51) CTSSCTSKCTSBNAMPTBRD4
SCHEMBL18664572 0.70 GRM2 (0.54) CTSSCTSKCTSBGRM2BRD4

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-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
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 CTSS 3584/4885CTSK 1755/4885CTSB 3520/4885

“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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