SCHEMBL527396

SCHEMBL527396

Cc1ccncc1-c1cccc(N)c1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
BTK Q06187 1/20 0.48
CYP17A1 P05093 15/20 0.46
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
PIK3CA P42336 1/20 0.45
CYP1A2 P05177 12/20 0.44
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABL1 P00519 1/20 0.41

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
SCHEMBL27897076 0.86 LCK (0.51) LCKBTKCYP17A1CYP3A4CYP1A2
SCHEMBL26466318 0.83 CYP17A1 (0.49) LCKBTKCYP17A1CYP1A2
SCHEMBL21128380 0.81 CYP17A1 (0.50) LCKBTKCYP17A1CYP3A4CYP1A2
SCHEMBL527326 0.80 CYP1A2 (0.43) LCKBTKCYP17A1CYP3A4CYP1A2
SCHEMBL26463109 0.79 CYP17A1 (0.46) LCKBTKCYP17A1CYP1A2
SCHEMBL29988790 0.78 TDO2 (0.49) CYP17A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3421743 0.78 TDO2 (0.49) CYP17A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL2206282 0.78 CYP3A4 (0.72) CYP3A4TSHRPIK3CA
SCHEMBL30839749 0.78 CYP3A4 (0.72) CYP3A4TSHRPIK3CA
SCHEMBL15784053 0.77 LCK (0.46) LCKBTKCYP17A1CYP3A4CYP1A2

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-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-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

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 LCK 2998/4885BTK 1967/4885CYP17A1 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.