SCHEMBL22423945

SCHEMBL22423945

COc1ccc(CNc2nc3c(c(=O)[nH]2)CCNC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 8/20 0.58
▸ HPGD P15428 1/20 0.55
▸ PKM P14618 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PDE9A O76083 4/20 0.51
▸ FABP4 P15090 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ TNKS O95271 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4411317 0.74 CYP3A4 (0.45) CLPPHPGDL3MBTL1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL3299132 0.74 CYP3A4 (0.44) CLPPHPGDL3MBTL1CYP3A4CYP2C9
SCHEMBL22424056 0.74 CLPP (0.56) CLPPHPGDPKML3MBTL1PDE9A
SCHEMBL22424237 0.73 TNKS (0.44) CLPPHPGDPKML3MBTL1CYP3A4
SCHEMBL30298460 0.71 CDK5 (0.47) HPGDL3MBTL1KDM4EALDH1A1MAPK1
SCHEMBL31087175 0.71 HPGD (1.00) CLPPHPGDPKML3MBTL1
SCHEMBL28277003 0.71 KDM4E (0.67) CLPPHPGDPDE9ACYP3A4CYP2C9
SCHEMBL22424581 0.71 CLPP (0.52) CLPPHPGDPKML3MBTL1PDE9A
SCHEMBL22424333 0.71 CLPP (0.54) CLPPHPGDPDE9A
SCHEMBL27610829 0.69 MAPT (0.62) PDE9AFABP4MAPT

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-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 — — US disclosed
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — 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-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES HAVCR2, HCCS, TYMP CLPP 3114/4885HPGD 103/4885PKM 2137/4885

“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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