SCHEMBL5020156

SCHEMBL5020156

CSc1ccc2nc(C(O)(c3c[nH]nn3)C(C)C)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
CYP3A4 P08684 3/20 0.31
CYP17A1 P05093 2/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TYMS P04818 1/20 0.30

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
SCHEMBL4537167 0.83 CYP17A1 (0.45) AKR1C3AKR1C2CYP3A4CYP17A1CYP2C9
SCHEMBL4562411 0.83 AR (0.34) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL5020130 0.81 CYP3A4 (0.34) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL6116398 0.81 CYP17A1 (0.40) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL8745752 0.80 AR (0.30) CYP3A4CYP17A1
SCHEMBL4561265 0.79 HRH3 (0.40) CYP3A4CYP17A1
SCHEMBL18887366 0.79 HRH3 (0.40) CYP3A4CYP17A1
SCHEMBL5020170 0.78 CYP17A1 (0.52) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL4560966 0.78 CYP3A4 (0.47) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL4560837 0.77 AR (0.33) CYP3A4CYP17A1CYP2C9CYP2C19

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 30 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
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US 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
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-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 AKR1C3 1506/4885AKR1C2 1153/4885CYP3A4 558/4885
US-20220370415-A1 COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS NR3C2, NR3C1, CRH AKR1C3 2568/4885AKR1C2 2576/4885CYP3A4 2554/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO AKR1C3 1506/4885AKR1C2 1153/4885CYP3A4 558/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO AKR1C3 1506/4885AKR1C2 1153/4885CYP3A4 558/4885
US-12357615-B2 Compositions for the treatment of brain tumors NR3C2, NR3C1, CRH AKR1C3 2568/4885AKR1C2 2576/4885CYP3A4 2554/4885

“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.