SCHEMBL29577448

SCHEMBL29577448

COc1cc(OC)c(F)c(-c2nc(N3CCC(C)(OC)C3)c3cc(Cl)ncc3n2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.33
▸ WHR1 P49842 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ STAT6 P42226 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NTSR1 P30989 3/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAP3K12 Q12852 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL20331745 1.00 PDE9A (0.37) PDE9AMAP4K1WHR1KDM4ESTAT6
SCHEMBL21240381 0.94 PDE9A (0.40) PDE9AMAP4K1WHR1KDM4ESTAT6
SCHEMBL30044646 0.94 PDE9A (0.40) PDE9AMAP4K1WHR1KDM4ESTAT6
SCHEMBL20331493 0.92 MAP4K1 (0.33) PDE9AMAP4K1KDM4ESTAT6NPSR1
SCHEMBL29578031 0.92 MAP4K1 (0.33) PDE9AMAP4K1KDM4ESTAT6NPSR1
SCHEMBL20331739 0.91 PDE9A (0.38) PDE9AWHR1KDM4ESTAT6NPSR1
SCHEMBL29577755 0.91 PDE9A (0.38) PDE9AWHR1KDM4ESTAT6NPSR1
SCHEMBL21251737 0.89 HPGD (0.40) PDE9AMAP4K1WHR1KDM4ESTAT6
SCHEMBL21252150 0.89 MAP3K12 (0.33) MAP4K1WHR1KDM4ESTAT6NPSR1
SCHEMBL20332262 0.85 PDE9A (0.41) PDE9AWHR1KDM4ESTAT6NPSR1

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-11555036-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-01-17 — — US disclosed
US-20220348573-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-11-03 — — US disclosed
EP-3524603-B1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2022-06-08 — — 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-20220348573-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF FGFR4, FGFR2, FGFR1 PDE9A 4163/4885MAP4K1 361/4885WHR1 313/4885
US-11555036-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof FGFR4, FGFR2, FGFR1 PDE9A 4178/4885MAP4K1 389/4885WHR1 371/4885

“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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