SCHEMBL18161034

SCHEMBL18161034

COc1ccc(CN(C)c2cc(Cl)nn3c(C(C)=O)cnc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 10/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR3C1 P04150 3/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ ACLY P53396 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TSPO P30536 1/20 0.36
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL16794676 0.92 PDE1B (0.40) PDE1BALDH1A1HTTSMN1; SMN2NR3C1
SCHEMBL24263381 0.91 PDE1B (0.39) PDE1BALDH1A1HTTSMN1; SMN2NR3C1
SCHEMBL16812352 0.89 PDE1B (0.38) PDE1BALDH1A1HTTSMN1; SMN2NR3C1
SCHEMBL16794693 0.88 MAPT (0.42) PDE1BALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL16812355 0.88 ALDH1A1 (0.39) PDE1BALDH1A1HTTSMN1; SMN2NR3C1
SCHEMBL16812493 0.88 NR3C1 (0.39) PDE1BALDH1A1HTTSMN1; SMN2NR3C1
SCHEMBL29754326 0.85 PTPN1 (0.38) PDE1BALDH1A1HTTSMN1; SMN2NR3C1
SCHEMBL16794653 0.85 CNR2 (0.41) ALDH1A1
SCHEMBL16812354 0.85 CDK5 (0.39) PDE1BSMN1; SMN2NR3C1MEN1KMT2A
SCHEMBL16812486 0.85 NPC1 (0.40) PDE1BALDH1A1SMN1; SMN2NR3C1MEN1

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-11780842-B2 TYK2 pseudokinase ligands VENTYX BIOSCIENCES, INC. (US) 2023-10-10 — — US disclosed
US-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-10-20 — — 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 (2 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-11780842-B2 TYK2 pseudokinase ligands TYK2, JAK2, PTK2B PDE1B 1977/4885ALDH1A1 4812/4885HTT 2189/4885
US-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES TYK2, IFNAR1, JAK3 PDE1B 1789/4885ALDH1A1 3902/4885HTT 3710/4885

“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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