SCHEMBL23555301

SCHEMBL23555301

Cc1nc2nc(-c3ccn(C(F)F)n3)c(O[C@H]3CCN4C(=O)OC[C@@H]4C3)cc2c(=O)n1Cc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 4/20 0.38
▸ PDE1B Q01064 4/20 0.38
▸ PDE1C Q14123 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ P2RX3 P56373 9/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 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
SCHEMBL23555280 0.89 ALDH1A1 (0.38) PDE1APDE1BPDE1CSMN1; SMN2KDM4E
SCHEMBL23555764 0.87 PDE1B (0.41) PDE1APDE1BPDE1CSMN1; SMN2KDM4E
SCHEMBL23555303 0.86 PDE1A (0.44) PDE1APDE1BPDE1CSMN1; SMN2KDM4E
SCHEMBL23555304 0.82 P2RX3 (0.39) PDE1APDE1BPDE1CSMN1; SMN2KDM4E
SCHEMBL23555536 0.81 MAOA (0.33) PDE1APDE1BPDE1CSMN1; SMN2KDM4E
SCHEMBL23555462 0.81 ALDH1A1 (0.38) PDE1APDE1BPDE1CSMN1; SMN2KDM4E
SCHEMBL25068937 0.80 PDE1A (0.40) PDE1APDE1BPDE1CSMN1; SMN2KDM4E
SCHEMBL23555319 0.79 PDE1B (0.45) PDE1APDE1BPDE1CSMN1; SMN2KDM4E
SCHEMBL23555503 0.79 PDE1A (0.40) PDE1APDE1BPDE1CSMN1; SMN2KDM4E
SCHEMBL23555504 0.79 ALDH1A1 (0.44) PDE1APDE1BPDE1CSMN1; SMN2KDM4E

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-20230054782-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME LLC (US) 2023-02-23 — — US disclosed
WO-2021127071-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — 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-20230054782-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES ZC3HAV1, HDAC11, CXCR1 PDE1A 3841/4885PDE1B 3860/4885PDE1C 3479/4885

“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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