SCHEMBL369078

SCHEMBL369078

COc1ccncc1-c1ccnc2c1cnn2-c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 15/20 0.69
CYP1A2 P05177 10/20 0.61
GRM1 Q13255 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP11B1 P15538 1/20 0.41
SLC2A1 P11166 2/20 0.40
SLC2A2 P11168 2/20 0.40
SLC2A3 P11169 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BMPR2 Q13873 1/20 0.40

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
SCHEMBL368288 0.87 CYP17A1 (0.73) CYP17A1CYP1A2GRM1
SCHEMBL368895 0.86 CYP17A1 (0.78) CYP17A1CYP1A2GRM1CYP3A4CYP11B1
SCHEMBL10187247 0.82 CYP17A1 (1.00) CYP17A1CYP1A2GRM1CYP3A4CYP11B1
SCHEMBL5967641 0.80 CYP17A1 (1.00) CYP17A1CYP1A2GRM1CYP3A4CYP11B1
SCHEMBL10076704 0.80 CYP17A1 (1.00) CYP17A1CYP1A2GRM1CYP3A4CYP11B1
SCHEMBL5967241 0.78 CYP17A1 (1.00) CYP17A1CYP1A2GRM1CYP3A4CYP11B1
SCHEMBL370018 0.76 CYP17A1 (1.00) CYP17A1CYP1A2CYP3A4CYP11B1
SCHEMBL359350 0.76 CYP17A1 (0.65) CYP17A1CYP1A2GRM1MEN1KMT2A
SCHEMBL367578 0.75 CYP17A1 (0.62) CYP17A1CYP1A2GRM1MEN1KMT2A
SCHEMBL369015 0.74 CYP17A1 (1.00) CYP17A1CYP1A2MEN1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593453-B1 AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-09-17 EP claimed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US claimed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US claimed
CN-103140490-A Azaindazole compounds BRISTOL MYERS SQUIBB CO 2013-06-05 CN claimed
EP-2593453-B1 AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-09-17 EP disclosed
EP-2593453-B1 AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-09-17 EP disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
CN-103140490-A Azaindazole compounds BRISTOL MYERS SQUIBB CO 2013-06-05 CN disclosed
EP-2593453-A1 AZAINDAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-22 EP disclosed
WO-2012009510-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO disclosed
WO-2012009510-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 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-20130184254-A1 AZAINDAZOLE COMPOUNDS CYP3A4, CYP4B1, CYP3A43 CYP17A1 53/4885CYP1A2 9/4885GRM1 3351/4885

“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.