SCHEMBL1162767

SCHEMBL1162767

N#C/C(=C/c1ccc(Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
CISD1 Q9NZ45 1/20 0.63
SLC16A3 O15427 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP3A4 P08684 1/20 0.63
HPGD P15428 1/20 0.63
SLC16A1 P53985 1/20 0.63
GPR35 Q9HC97 1/20 0.63
EGFR P00533 1/20 0.63
ATM Q13315 1/20 0.56
MCL1 Q07820 1/20 0.54

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
SCHEMBL1162770 1.00 KDM4E (0.63) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL12327330 0.88 MAPT (0.52) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL12327329 0.85 MAPT (0.52) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL305983 0.84 KDM4E (0.72) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL3009380 0.84 KDM4E (0.72) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL305982 0.84 KDM4E (0.72) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL10413058 0.84 EGFR (0.85) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL4600832 0.84 EGFR (0.85) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL4600830 0.84 EGFR (0.85) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL782092 0.82 ALDH1A1 (0.65) KDM4ECISD1SLC16A3ALDH1A1CYP3A4

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-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
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
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 728/4885CISD1 3010/4885SLC16A3 4654/4885

“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.