SCHEMBL22070884

SCHEMBL22070884

CCOC(=O)Cc1cccc(COc2ccc(Br)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.57
▸ CYP4F2 P78329 7/20 0.47
▸ CYP4A11 Q02928 7/20 0.47
▸ MRGPRX4 Q96LA9 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PRMT5 O14744 2/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ P4HTM Q9NXG6 1/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL4442366 0.80 MAOB (0.53) MAOBMRGPRX4TP53PKMNFKB1
SCHEMBL1525379 0.78 MAOB (0.45) MAOBCYP4F2CYP4A11TP53PKM
SCHEMBL68412 0.77 L3MBTL1 (0.50) MAOBCYP4F2CYP4A11PKMNFKB1
SCHEMBL28384845 0.77 MAOB (0.41) MAOBPKMNFKB1NFKB2RELA
SCHEMBL17288159 0.76 GAA (0.55) TP53SMN1; SMN2PTPN1
SCHEMBL1008116 0.76 LTB4R (0.61) MAOBCYP4F2CYP4A11PKMSMN1; SMN2
SCHEMBL13735210 0.76 MRGPRX4 (0.64) CYP4F2CYP4A11MRGPRX4TP53PKM
SCHEMBL30697582 0.75 PRMT5 (0.60) MAOBPRMT5FFAR1P4HTM
SCHEMBL25107493 0.74 MAOB (0.43) MAOBPKMNFKB1NFKB2RELA
SCHEMBL15424203 0.74 LTA4H (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 — — US disclosed
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 — — US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 — — US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 — — US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 — — EP disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 — — EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 — — CN 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 (2 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 MAOB 230/4885CYP4F2 20/4885CYP4A11 2/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 MAOB 230/4885CYP4F2 20/4885CYP4A11 2/4885

“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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