SCHEMBL8535730

SCHEMBL8535730

COc1ccc(-c2cc(C3CCCC3)c(C#N)c(=O)[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
MAPT P10636 3/20 0.59
GLA P06280 2/20 0.59
PIM1 P11309 3/20 0.51
MET P08581 1/20 0.49
KDR P35968 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 4/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EGFR P00533 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 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
SCHEMBL8401180 0.86 GAA (0.56) KDM4EMAPTGLAPIM1MET
SCHEMBL8534913 0.86 ATM (0.48) KDM4EMAPTGLAPIM1MET
SCHEMBL8401181 0.79 PIM1 (0.57) KDM4EMAPTGLAPIM1MET
SCHEMBL23841106 0.73 KDM4E (0.50) KDM4EMAPTGLAMEN1KMT2A
SCHEMBL1694818 0.72 KDM4E (0.48) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL8534958 0.71 KDM4E (0.51) KDM4EMAPTGLAMEN1KMT2A
SCHEMBL29331950 0.71 PIM1 (0.69) KDM4EMAPTGLAPIM1MET
SCHEMBL2071756 0.71 BIRC5 (0.59) PIM1METKDR
SCHEMBL2591161 0.71 KDM4E (0.49) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL23920032 0.71 PIM1 (0.71) KDM4EMAPTGLAPIM1MET

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 5 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 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-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 KDM4E 728/4885MAPT 4648/4885GLA 4297/4885

“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.