SCHEMBL24557986

SCHEMBL24557986

Nc1nc(Cl)nn2c(C3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3F)cnc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 8/20 0.59
▸ HTR1A P08908 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ HSPA5 P11021 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ CDC25B P30305 2/20 0.34
▸ NT5E P21589 3/20 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
SCHEMBL18787315 0.91 PDE2A (0.52) PDE2AHTR1ABCHEHSPA5CA1
SCHEMBL18787314 0.90 PDE2A (0.51) PDE2AHTR1ABCHEHSPA5CA1
SCHEMBL18788249 0.87 PDE2A (0.49) PDE2AHTR1ABCHEHSPA5CA1
SCHEMBL18787318 0.86 PDE2A (0.48) PDE2AHTR1ABCHEHSPA5CA1
SCHEMBL18787319 0.85 PDE2A (0.50) PDE2AHTR1ABCHEHSPA5CA1
SCHEMBL29398438 0.83 PDE2A (0.46) PDE2AHTR1ABCHENT5E
SCHEMBL29397151 0.83 PDE2A (0.45) PDE2AHTR1ABCHECA1CA2
SCHEMBL22579737 0.83 PDE2A (0.45) PDE2AHTR1ABCHECA1CA2
SCHEMBL20653964 0.82 PDE2A (0.47) PDE2AHTR1ABCHEHSPA5CA1
SCHEMBL20404030 0.81 PDE2A (0.42) PDE2AHTR1AHSPA5

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-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — 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-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 PDE2A 431/4885HTR1A 2118/4885BCHE 663/4885

“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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