SCHEMBL527609

SCHEMBL527609

Cc1cc(N)ccc1-c1cnccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.45
ALDH1A1 P00352 2/20 0.43
MAP4K1 Q92918 1/20 0.42
TDO2 P48775 1/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2E1 P05181 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP17A1 P05093 4/20 0.40
LCK P06239 1/20 0.40
BTK Q06187 1/20 0.40
PDE10A Q9Y233 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL12707407 0.87 PLA2G7 (0.49) ABL1ALDH1A1MAP4K1TDO2CYP11B1
SCHEMBL5687575 0.86 TSHR (0.50) ABL1MAP4K1TDO2CYP11B1CYP11B2
SCHEMBL527190 0.84 CYP3A4 (0.48) ABL1MAP4K1TDO2CYP11B1CYP11B2
SCHEMBL527540 0.84 ALDH1A1 (0.39) ABL1ALDH1A1TDO2CYP11B1CYP11B2
SCHEMBL7086302 0.84 ABL1 (0.44) ABL1ALDH1A1MAP4K1TDO2CYP11B1
SCHEMBL10272835 0.82 CYP17A1 (0.58) ABL1ALDH1A1CYP11B1CYP11B2CYP1A2
SCHEMBL527200 0.82 IMPDH2 (0.46) ALDH1A1CYP11B1CYP11B2CYP1A2CYP2E1
SCHEMBL7082047 0.81 PLA2G7 (0.51) ABL1ALDH1A1MAP4K1TDO2CYP11B1
SCHEMBL10273187 0.80 CYP17A1 (0.59) TDO2CYP11B1CYP11B2CYP1A2CYP2E1
SCHEMBL16280579 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4PDE10AKDM4ENPC1

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 12 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
WO-2015182769-A1 QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME 東ソー株式会社 2015-12-03 WO 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 ABL1 911/4885ALDH1A1 126/4885MAP4K1 2830/4885

“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.