SCHEMBL30044646

SCHEMBL30044646

COc1cc(OC)c(F)c(-c2nc(N3CCC(C)(OC)CC3)c3cc(Cl)ncc3n2)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ WHR1 P49842 3/20 0.36
▸ MAP4K1 Q92918 1/20 0.34
▸ NTSR1 P30989 7/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL21240381 1.00 PDE9A (0.40) PDE9ASMN1; SMN2ALDH1A1KDM4ESTAT6
SCHEMBL21251737 0.95 HPGD (0.40) PDE9ASMN1; SMN2ALDH1A1KDM4ESTAT6
SCHEMBL20331745 0.94 PDE9A (0.37) PDE9ASMN1; SMN2ALDH1A1KDM4ESTAT6
SCHEMBL29577448 0.94 PDE9A (0.37) PDE9ASMN1; SMN2ALDH1A1KDM4ESTAT6
SCHEMBL29578031 0.90 MAP4K1 (0.33) PDE9ASMN1; SMN2ALDH1A1KDM4ESTAT6
SCHEMBL20332262 0.90 PDE9A (0.41) PDE9ASMN1; SMN2ALDH1A1KDM4ESTAT6
SCHEMBL30045784 0.90 PDE9A (0.41) PDE9ASMN1; SMN2ALDH1A1KDM4ESTAT6
SCHEMBL20331493 0.90 MAP4K1 (0.33) PDE9ASMN1; SMN2ALDH1A1KDM4ESTAT6
SCHEMBL21252194 0.89 PIK3CA (0.36) ALDH1A1KDM4ESTAT6NPSR1WHR1
SCHEMBL30045467 0.85 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1CYP1A2CYP3A4PDE10A

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 2 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

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 4163/4885SMN1; SMN2 1447/4885ALDH1A1 758/4885
US-11555036-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof FGFR4, FGFR2, FGFR1 PDE9A 4178/4885SMN1; SMN2 1556/4885ALDH1A1 927/4885

“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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