SCHEMBL31245713

SCHEMBL31245713

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4C[C@H]5CCO[C@H]54)cnc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 12/20 0.36
▸ SSTR3 P32745 1/20 0.34
▸ KAT8 Q9H7Z6 5/20 0.34
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PDE1A P54750 3/20 0.32
▸ PDE1C Q14123 3/20 0.32
▸ KAT6A Q92794 1/20 0.32

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
SCHEMBL29754467 0.95 PDE1B (0.34) PDE1BSSTR3KAT8CNR1CNR2
SCHEMBL26101957 0.86 TYK2 (0.40) PDE1BSSTR3KAT8CNR1CNR2
SCHEMBL16794641 0.86 TYK2 (0.40) PDE1BSSTR3KAT8CNR1CNR2
SCHEMBL16794640 0.86 TYK2 (0.40) PDE1BSSTR3KAT8CNR1CNR2
SCHEMBL16812488 0.86 TYK2 (0.40) PDE1BSSTR3KAT8CNR1CNR2
SCHEMBL16794653 0.85 CNR2 (0.41) CNR1CNR2F10
SCHEMBL31161333 0.85 SSTR3 (0.35) PDE1BSSTR3CNR1CNR2F10
SCHEMBL31161788 0.85 TYK2 (0.37) PDE1BSSTR3CNR1CNR2F10
SCHEMBL16794701 0.84 YAP1 (0.41) PDE1BCNR1CNR2F10
SCHEMBL16812491 0.84 YAP1 (0.43) CNR1F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-10-10 — — 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 (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-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS TYK2, PTK2B, JAK1 PDE1B 918/4885SSTR3 3472/4885KAT8 2193/4885

“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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