SCHEMBL359295

SCHEMBL359295

Fc1ccc(-n2ncc3c(I)ccnc32)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 17/20 0.63
CYP1A2 P05177 10/20 0.63
NR3C2 P08235 1/20 0.40
CYP3A4 P08684 1/20 0.37
CYP11B1 P15538 1/20 0.37
MAPK14 Q16539 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL359298 0.88 CYP17A1 (0.60) CYP17A1CYP1A2CYP3A4CYP11B1LMNA
SCHEMBL15113035 0.85 CYP17A1 (0.56) CYP17A1CYP1A2NR3C2LMNATP53
SCHEMBL15105543 0.85 CYP17A1 (0.48) CYP17A1CYP1A2CYP3A4CYP11B1MAPK14
SCHEMBL10188375 0.83 CYP17A1 (0.62) CYP17A1CYP1A2CYP3A4CYP11B1
SCHEMBL368855 0.82 CYP17A1 (0.61) CYP17A1CYP1A2NR3C2MAPK14LMNA
SCHEMBL839044 0.80 CYP17A1 (0.55) CYP17A1CYP1A2LMNATP53POLB
SCHEMBL368959 0.79 CYP17A1 (0.58) CYP17A1CYP1A2CYP3A4CYP11B1LMNA
SCHEMBL368858 0.78 CYP17A1 (1.00) CYP17A1CYP1A2
SCHEMBL10187251 0.77 CYP17A1 (0.42) CYP17A1CYP1A2CYP3A4CYP11B1TP53
SCHEMBL361292 0.77 CYP17A1 (0.61) CYP17A1CYP1A2CYP3A4CYP11B1LMNA

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-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
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 9/4885NR3C2 114/4885

“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.