SCHEMBL29344499

SCHEMBL29344499

COc1ccc(Cn2c(=O)[nH]c(=O)c3cnc(Cl)c(F)c32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.42
GRIN1 Q05586 5/20 0.41
GRIN2B Q13224 5/20 0.41
EGLN1 Q9GZT9 3/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36

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
SCHEMBL29937239 0.76 KDM4E (0.40) PDE9AGRIN1GRIN2BKDM4EMAPT
SCHEMBL29344263 0.76 KDM4E (0.40) PDE9AGRIN1GRIN2BKDM4EMAPT
SCHEMBL27033303 0.73 BRD4 (0.41) PDE9AGRIN1GRIN2BKDM4EMAPT
SCHEMBL4172007 0.72 KDM4E (0.43) PDE9AGRIN1GRIN2BKDM4EMAPT
SCHEMBL29936778 0.71 GRIN1 (0.41) PDE9AGRIN1GRIN2BKDM4EMAPT
SCHEMBL28301483 0.71 PNP (0.55) PDE9AGRIN1GRIN2BKDM4EADORA3
SCHEMBL29638406 0.70 CYP1A2 (0.43) MAPTSMN1; SMN2HPGD
SCHEMBL24895895 0.70 ALDH1A1 (0.43) GRIN1GRIN2BKDM4EMAPTALDH1A1
SCHEMBL22307626 0.69 KDM4E (0.41) PDE9AEGLN1KDM4EALDH1A1HPGD
SCHEMBL30021473 0.69 KDM4E (0.41) PDE9AEGLN1KDM4EALDH1A1HPGD

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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS PDE9A 3315/4885GRIN1 4123/4885GRIN2B 4290/4885

“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.