SCHEMBL18770356

SCHEMBL18770356

O=C1COc2cc(NC(=O)c3cc(NC(=O)c4cn[nH]c4)ccc3Cl)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 1.00
▸ CYP19A1 P11511 4/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ CYP1A2 P05177 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GRM5 P41594 1/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ CSF1R P07333 3/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL14073845 0.91 CYP3A4 (0.82) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL18770343 0.89 CYP3A4 (0.80) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL22299265 0.86 CYP3A4 (0.75) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073594 0.82 CYP2C9 (0.69) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL18789836 0.78 CYP3A4 (0.63) CYP3A4CYP19A1CYP2C9KMT2APOLB
SCHEMBL25220323 0.78 CYP3A4 (0.63) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073778 0.77 CYP3A4 (0.61) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073725 0.76 CYP3A4 (0.62) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL30444601 0.76 KMT2A (0.62) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073852 0.76 CYP3A4 (0.61) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A

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 14 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
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 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
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
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 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
WO-2017070719-A2 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 disclosed
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 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 1/4885CYP2C9 54/4885
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 1/4885CYP2C9 20/4885
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 1/4885CYP2C9 20/4885

“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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