SCHEMBL527190

SCHEMBL527190

Cc1ccncc1-c1ccc(N)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
PLA2G7 Q13093 1/20 0.47
CYP17A1 P05093 7/20 0.43
ABL1 P00519 1/20 0.42
GAA P10253 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
TSHR P16473 1/20 0.39
MAP4K1 Q92918 3/20 0.39
TDO2 P48775 1/20 0.38
CYP1A2 P05177 5/20 0.38
CYP2E1 P05181 2/20 0.38
CYP2C8 P10632 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL7082047 0.87 PLA2G7 (0.51) CYP3A4PLA2G7CYP17A1ABL1GAA
SCHEMBL527609 0.84 ABL1 (0.45) CYP3A4CYP17A1ABL1MAP4K1TDO2
SCHEMBL12707407 0.82 PLA2G7 (0.49) CYP3A4PLA2G7CYP17A1ABL1GAA
SCHEMBL5687575 0.81 TSHR (0.50) CYP3A4CYP17A1ABL1TSHRMAP4K1
SCHEMBL2893826 0.80 PLA2G7 (0.60) CYP3A4PLA2G7CYP17A1ABL1GAA
SCHEMBL7086302 0.79 ABL1 (0.44) CYP3A4PLA2G7CYP17A1ABL1MAP4K1
SCHEMBL10272835 0.78 CYP17A1 (0.58) CYP3A4CYP17A1ABL1GAATSHR
SCHEMBL25294617 0.76 CYP3A4 (0.52) CYP3A4PLA2G7GAATNKS2TSHR
SCHEMBL30522557 0.76 CYP3A4 (0.52) CYP3A4PLA2G7GAATNKS2TSHR
SCHEMBL302092 0.75 CYP3A4 (0.65) CYP3A4PLA2G7GAATNKS2TSHR

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-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 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-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS SULT1A1, SULT2A1, SULT1E1 CYP3A4 27/4885PLA2G7 961/4885CYP17A1 28/4885

“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.