SCHEMBL4537167

SCHEMBL4537167

COc1ccc2nc(C(O)(c3c[nH]nn3)C(C)C)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.45
NCF1 P14598 1/20 0.42
NQO1 P15559 1/20 0.40
CYP3A4 P08684 6/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 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
SCHEMBL6116398 0.87 CYP17A1 (0.40) CYP17A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4561265 0.85 HRH3 (0.40) CYP17A1CYP3A4PDE3BPDE3A
SCHEMBL18887366 0.85 HRH3 (0.40) CYP17A1CYP3A4PDE3BPDE3A
SCHEMBL5020170 0.85 CYP17A1 (0.52) CYP17A1CYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL5020156 0.83 AKR1C3 (0.32) CYP17A1CYP3A4CYP2C9CYP2C19AKR1C3
SCHEMBL5020130 0.81 CYP3A4 (0.34) CYP17A1CYP3A4CYP2C9CYP2C19
SCHEMBL4560966 0.78 CYP3A4 (0.47) CYP17A1CYP3A4CYP2C9CYP2C19
SCHEMBL8745752 0.78 AR (0.30) CYP17A1CYP3A4
SCHEMBL5020196 0.73 CYP3A4 (0.65) CYP17A1CYP3A4CYP2C9CYP2C19
SCHEMBL5020315 0.72 CYP3A4 (0.68) CYP17A1CYP3A4CYP2C9CYP2C19

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP claimed
EP-2638021-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2013-09-18 EP claimed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US claimed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 WO claimed
US-12357615-B2 Compositions for the treatment of brain tumors KEMBI THERAPEUTICS PTY LTD (AU) 2025-07-15 US disclosed
US-20220370415-A1 COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS KEMBI THERAPEUTICS PTY LTD (AU) 2022-11-24 US disclosed
WO-2019182743-A1 COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS INNOCRIN PHARMACEUTICALS, INC. (US) 2019-09-26 WO disclosed
WO-2019182743-A1 COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS INNOCRIN PHARMACEUTICALS, INC. (US) 2019-09-26 WO disclosed
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
EP-2638021-B1 1-(6,7-Bis(difluoromethoxy)naphthalen-2-yl)-2-methyl-1-(1H-1,2,3-triazol-4-yl)propan-1-ol as inhibitor of CYP17 for the treatment of androgen dependent diseases like prostate cancer INNOCRIN PHARMACEUTICALS INC (US) 2018-09-26 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 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 (4 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-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP17A1 649/4885NCF1 939/4885NQO1 44/4885
US-20220370415-A1 COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS NR3C2, NR3C1, CRH CYP17A1 62/4885NCF1 4595/4885NQO1 2144/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP17A1 649/4885NCF1 939/4885NQO1 44/4885
US-12357615-B2 Compositions for the treatment of brain tumors NR3C2, NR3C1, CRH CYP17A1 62/4885NCF1 4595/4885NQO1 2144/4885

“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.