SCHEMBL527200

SCHEMBL527200

COc1ccncc1-c1ccc(N)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2E1 P05181 3/20 0.43
CYP2A6 P11509 3/20 0.43
CYP2B6 P20813 3/20 0.43
CYP2C8 P10632 1/20 0.43
CYP17A1 P05093 3/20 0.42
NTRK1 P04629 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
KCNA3 P22001 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 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
SCHEMBL30522575 0.88 IMPDH2 (0.46) IMPDH2IMPDH1CYP1A2CYP17A1NTRK1
SCHEMBL10272836 0.87 IMPDH2 (0.55) IMPDH2IMPDH1CYP1A2CYP2C19CYP2D6
SCHEMBL527609 0.82 ABL1 (0.45) CYP1A2CYP2C19CYP2D6CYP2E1CYP2A6
SCHEMBL28016813 0.81 CYP17A1 (0.47) CYP1A2CYP2C19CYP2D6CYP2E1CYP2A6
SCHEMBL10272835 0.81 CYP17A1 (0.58) IMPDH2IMPDH1CYP1A2CYP2C19CYP2D6
SCHEMBL527540 0.78 ALDH1A1 (0.39) CYP17A1CYP11B1CYP11B2ALDH1A1PDE10A
SCHEMBL10304940 0.77 SLC22A12 (0.49) CYP1A2CYP2C19CYP2D6CYP2E1CYP2A6
SCHEMBL27555994 0.77 AKR1C3 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL25300597 0.76 IMPDH2 (0.56) IMPDH2IMPDH1CYP1A2CYP17A1NTRK1
SCHEMBL30522600 0.76 IMPDH2 (0.56) IMPDH2IMPDH1CYP1A2CYP17A1NTRK1

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
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
CN-103209960-A Sulfonamide compounds useful as CYP17 inhibitors BRISTOL MYERS SQUIBB CO 2013-07-17 CN 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 IMPDH2 1146/4885IMPDH1 880/4885CYP1A2 14/4885

“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.