SCHEMBL24557909

SCHEMBL24557909

CSc1ncnn2c([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3F)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.43
▸ HTR1A P08908 1/20 0.38
▸ PTPN1 P18031 6/20 0.36
▸ CDC25B P30305 6/20 0.36
▸ TACR2 P21452 2/20 0.34
▸ HSPA5 P11021 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ PTPN2 P17706 2/20 0.33
▸ PTPN6 P29350 2/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GJB2 P29033 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL29397234 1.00 PDE2A (0.43) PDE2AHTR1APTPN1CDC25BTACR2
SCHEMBL17106842 0.93 HTR1A (0.41) PDE2AHTR1APTPN1CDC25BTACR2
SCHEMBL17106843 0.93 HTR1A (0.41) PDE2AHTR1APTPN1CDC25BTACR2
SCHEMBL18787319 0.87 PDE2A (0.50) PDE2AHTR1APTPN1CDC25BHSPA5
SCHEMBL18788248 0.87 PDE2A (0.44) PDE2AHTR1APTPN1CDC25BTACR2
SCHEMBL29397763 0.85 PDE2A (0.42) PDE2AHTR1APTPN1CDC25BBCHE
SCHEMBL22569895 0.85 PDE2A (0.42) PDE2AHTR1APTPN1CDC25BBCHE
SCHEMBL29569250 0.82 PDE2A (0.34) PDE2ABCHE
SCHEMBL22569894 0.82 HRH4 (0.34) PDE2AHSPA5
SCHEMBL17131352 0.82 SLC29A1 (0.31) —

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 2118/4885PTPN1 922/4885

“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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