SCHEMBL18770307

SCHEMBL18770307

O=C1COc2cc(NCc3cccc(C(=O)Nc4cccnc4)c3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 1.00
▸ CYP19A1 P11511 5/20 1.00
▸ CYP1A2 P05177 4/20 1.00
▸ CYP2C9 P11712 3/20 0.77
▸ CYP2C19 P33261 2/20 0.77
▸ CYP2D6 P10635 1/20 0.71
▸ ROCK2 O75116 3/20 0.53
▸ NSD2 O96028 1/20 0.49
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL29478290 1.00 CYP3A4 (1.00) CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL29478289 0.87 CYP3A4 (1.00) CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL18770357 0.87 CYP3A4 (1.00) CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL29478288 0.86 CYP3A4 (1.00) CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL18770367 0.86 CYP3A4 (1.00) CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL18770334 0.86 CYP3A4 (0.75) CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL18770405 0.84 CYP3A4 (0.73) CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL30444291 0.84 CYP3A4 (0.73) CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL30444495 0.84 CYP3A4 (0.73) CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL18789757 0.84 CYP3A4 (0.73) CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365330-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 — — EP claimed
CN-108779085-B Pharmacophores, compounds and methods having application in the treatment of cancer by inhibition of CYP17a1 and CYP19a1 马古苏托科技大学 2022-03-22 — — CN claimed
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 — — US claimed
EP-3365330-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 Mangosuthu University Of Technology (ZA) 2018-08-29 — — EP claimed
WO-2017070718-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2017-04-27 — — WO claimed
EP-3365819-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 — — EP disclosed
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2023-01-10 — — US disclosed
US-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 — — US disclosed
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 — — US 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 (3 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-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 CYP3A4 48/4885CYP19A1 1/4885CYP1A2 33/4885
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 CYP3A4 18/4885CYP19A1 1/4885CYP1A2 5/4885
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 CYP19A1, CYP26A1, CYP21A2 CYP3A4 18/4885CYP19A1 1/4885CYP1A2 5/4885

“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.

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