SCHEMBL21046350

SCHEMBL21046350

CSc1nc(N)c2ncc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.43
▸ HTR1A P08908 1/20 0.40
▸ HSPA5 P11021 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ PTPN1 P18031 6/20 0.36
▸ CDC25B P30305 6/20 0.36
▸ PTPN2 P17706 2/20 0.35
▸ PTPN6 P29350 2/20 0.35
▸ PTPN11 Q06124 2/20 0.35
▸ TACR2 P21452 1/20 0.35
▸ GJB2 P29033 1/20 0.35
▸ NT5E P21589 1/20 0.34

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
SCHEMBL18788249 0.92 PDE2A (0.49) PDE2AHTR1AHSPA5BCHECA1
SCHEMBL21078687 0.90 HTR1A (0.40) PDE2AHTR1ABCHECA1CA2
SCHEMBL21046783 0.90 HTR1A (0.40) PDE2AHTR1ABCHECA1CA2
SCHEMBL19859840 0.85 PDE2A (0.42) PDE2AHTR1AHSPA5BCHECA1
SCHEMBL24160854 0.83 PDE2A (0.39) PDE2AHTR1ABCHECA1CA2
SCHEMBL18788248 0.83 PDE2A (0.44) PDE2AHTR1ABCHECA1CA2
SCHEMBL19859839 0.82 PDE2A (0.42) PDE2AHTR1AHSPA5BCHECA1
SCHEMBL25379329 0.82 PDE2A (0.44) PDE2AHTR1AHSPA5BCHECA1
SCHEMBL18490316 0.82 PDE2A (0.44) PDE2AHTR1AHSPA5BCHECA1
SCHEMBL17106846 0.82 PDE2A (0.44) PDE2AHTR1AHSPA5BCHECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 — — US disclosed
US-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 — — US disclosed
US-9345678-B2 Prostanoid receptor agonist compounds and methods of use for same ALLERGAN, INC. (US) 2016-05-24 — — 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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B PDE2A 991/4885HTR1A 2078/4885HSPA5 2200/4885

“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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