SCHEMBL369066

SCHEMBL369066

FC(F)(F)c1ccccc1-n1ncc2c(I)ccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 8/20 0.45
CYP1A2 P05177 6/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
PMP22 Q01453 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GCK P35557 2/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.36
SLC2A1 P11166 1/20 0.36
SLC2A2 P11168 1/20 0.36
SLC2A3 P11169 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
SCHEMBL10187420 0.85 CYP17A1 (0.60) CYP17A1CYP1A2KMT2AMEN1MAPT
SCHEMBL10188375 0.83 CYP17A1 (0.62) CYP17A1CYP1A2CYP3A4
SCHEMBL10187549 0.81 CYP17A1 (0.43) CYP17A1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL15113006 0.79 GSK3B (0.49) CYP17A1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL368921 0.76 CYP17A1 (0.68) CYP17A1CYP1A2
SCHEMBL838396 0.76 GCK (0.42) CYP17A1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL15105528 0.76 CYP17A1 (0.62) CYP17A1CYP1A2LMNAMAPTSLC2A1
SCHEMBL838726 0.76 GCK (0.44) CYP17A1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL368213 0.75 CYP17A1 (0.79) CYP17A1CYP1A2CYP3A4
SCHEMBL839159 0.74 HTT (0.54) CYP17A1KMT2AALDH1A1MEN1MAPT

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 6 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-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

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 9/4885KMT2A 1569/4885

“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.