SCHEMBL22424057

SCHEMBL22424057

COc1ccc(Cn2c(N)nc3c(c2=O)CCNC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.48
▸ PDE1B Q01064 2/20 0.47
▸ PDE5A O76074 2/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ TYMS P04818 1/20 0.42
▸ HTR3A P46098 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CLPP Q16740 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL22424576 0.78 PDE5A (0.44) PNPPDE5APDE4APDE4BPDE4C
SCHEMBL28671519 0.77 CLPP (0.44) PNPPDE5APDE4APDE4BPDE4C
SCHEMBL22845413 0.73 PDE1B (0.49) PDE1BGAAMAPTCLPP
SCHEMBL22410754 0.73 P2RX3 (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL22424242 0.70 MAPT (0.44) GAAALDH1A1POLBHTTMAPT
SCHEMBL4411317 0.70 CYP3A4 (0.45) GAAALDH1A1CYP3A4CYP2C9MAPT
SCHEMBL24914516 0.70 CLPP (0.65) PDE1BCYP3A4CLPP
Acetic Acid SCHEMBL22717314 0.70 PDE1B (0.46) PDE1BALDH1A1MAPTKDM4ECLPP
Hydrochloric Acid SCHEMBL3299132 0.70 CYP3A4 (0.44) GAAALDH1A1CYP3A4CYP2C9MAPT
SCHEMBL9242016 0.69 KDM4E (0.56) PNPPDE5APDE4APDE4BPDE4C

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 PNP 63/4885PDE1B 3540/4885PDE5A 2538/4885

“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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