SCHEMBL24257562

SCHEMBL24257562

COc1cccc(-c2cnc(C#N)c(OCc3ccccc3)c2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
BTK Q06187 1/20 0.43
DYRK1B Q9Y463 1/20 0.42
C5AR1 P21730 1/20 0.42
TLR8 Q9NR97 1/20 0.41
ADORA2B P29275 1/20 0.41
PDE4A P27815 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
SCHEMBL30546831 1.00 MAOB (0.47) MAOBCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24257522 0.91 SQOR (0.40) MAOBCYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL24257768 0.88 SQOR (0.42) MAOBCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30452737 0.86 GRM5 (0.42) CYP3A4MAPK1MAPTCYP2C9HPGD
SCHEMBL30546869 0.86 C5AR1 (0.41) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL24257771 0.86 GRM5 (0.42) CYP3A4MAPK1MAPTCYP2C9HPGD
SCHEMBL24257769 0.86 C5AR1 (0.41) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL30546879 0.84 HSD17B10 (0.43) MAOBALDH1A1TSHRMAPK1MAPT
SCHEMBL24257819 0.84 HSD17B10 (0.43) MAOBALDH1A1TSHRMAPK1MAPT
SCHEMBL24257578 0.81 CYP11B1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
WO-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 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 (1 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-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HIF1AN, EGLN3, PHF20 MAOB 3422/4885CYP1A2 3155/4885CYP3A4 4237/4885

“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.