SCHEMBL1162891

SCHEMBL1162891

N#Cc1c(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.80
ALDH1A1 P00352 5/20 0.80
CYP1A2 P05177 1/20 0.80
CYP2C9 P11712 1/20 0.80
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
HTT P42858 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
KDM4E B2RXH2 2/20 0.61
XDH P47989 1/20 0.58
PPARG P37231 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
POLB P06746 2/20 0.51
ACMSD Q8TDX5 2/20 0.50
CHEK2 O96017 1/20 0.50
ERBB2 P04626 1/20 0.48

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
SCHEMBL19665221 0.89 HPGD (1.00) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL20570670 0.79 HPGD (0.79) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL20570795 0.78 HPGD (0.77) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL20570559 0.77 HPGD (0.76) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL13946588 0.76 ERBB2 (0.50) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL20571330 0.75 ALDH1A1 (0.72) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL17550148 0.75 HPGD (0.71) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL16772515 0.74 MEN1 (0.80) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL16772576 0.74 RXFP1 (0.95) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL5809667 0.74 HPGD (0.70) HPGDALDH1A1CYP1A2CYP2C9MEN1

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-2464647-B1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2016-09-21 EP disclosed
EP-2464647-B1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2016-09-21 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
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
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 HPGD 4271/4885ALDH1A1 2841/4885CYP1A2 1050/4885

“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.