SCHEMBL22071019

SCHEMBL22071019

O=C(NCCCCOc1ccc(-c2ccnn2C2CCCCO2)nc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 6/20 0.59
▸ CYP4A11 Q02928 6/20 0.59
▸ ATR Q13535 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DPP8 Q6V1X1 2/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PREP P48147 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ TGM2 P21980 1/20 0.38

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
SCHEMBL28394637 0.87 CYP4F2 (0.63) CYP4F2CYP4A11ATRMEN1KMT2A
SCHEMBL20590870 0.84 CYP4F2 (0.79) CYP4F2CYP4A11ATR
SCHEMBL24012606 0.82 RXRA (0.51) CYP4F2CYP4A11MAPTL3MBTL1MEN1
SCHEMBL23272095 0.81 CYP4F2 (0.60) CYP4F2CYP4A11ATRMEN1KMT2A
SCHEMBL22070689 0.81 CYP4F2 (0.66) CYP4F2CYP4A11ATRMEN1KMT2A
SCHEMBL22070892 0.80 CYP4F2 (0.56) CYP4F2CYP4A11ATR
SCHEMBL29641987 0.80 CYP4F2 (0.55) CYP4F2CYP4A11ATR
SCHEMBL29642058 0.80 CYP4F2 (0.55) CYP4F2CYP4A11ATR
SCHEMBL22071040 0.80 CYP4F2 (0.65) CYP4F2CYP4A11ATRMEN1KMT2A
SCHEMBL22070639 0.80 CYP4F2 (0.65) CYP4F2CYP4A11ATRMEN1KMT2A

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 3 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-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

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 CYP4F2 20/4885CYP4A11 2/4885ATR 4013/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 CYP4F2 20/4885CYP4A11 2/4885ATR 4013/4885

“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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