SCHEMBL25840626

SCHEMBL25840626

COc1ncc(-c2cc([C@H]3C[C@@H]3CO)c(C#N)nn2)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.37
PPARD Q03181 1/20 0.34
TP53 P04637 2/20 0.32
MDM2 Q00987 2/20 0.32
MTOR P42345 1/20 0.32
CTSL P07711 1/20 0.32
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31

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
SCHEMBL24300261 1.00 PDE10A (0.37) PDE10APPARDTP53MDM2MTOR
SCHEMBL24300260 0.87 PDE10A (0.35) PDE10ATP53MDM2MTOR
SCHEMBL25840630 0.86 QPCT (0.34) PDE10APPARDTP53MDM2MTOR
SCHEMBL24300798 0.85 PDE10A (0.39) PDE10APPARDMTORQPCTQPCTL
SCHEMBL25840046 0.85 PDE10A (0.36) PDE10APPARDTP53MDM2MTOR
SCHEMBL28728598 0.84 NT5E (0.36) TP53MDM2MTORQPCTQPCTL
SCHEMBL29467441 0.84 NT5E (0.36) TP53MDM2MTORQPCTQPCTL
SCHEMBL24300262 0.83 PPARD (0.33) PDE10APPARDTP53MDM2MTOR
SCHEMBL26527620 0.83 TP53 (0.34) PDE10ATP53MDM2MTORQPCT
SCHEMBL28728563 0.82 NT5E (0.36) TP53MDM2MTORQPCTQPCTL

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-20230321100-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-10-12 US disclosed
US-20230321100-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-10-12 US disclosed
EP-4212524-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE Betta Pharmaceuticals Co., Ltd (CN) 2023-07-19 EP 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-20230321100-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE ENTPD5, ENTPD1, NT5E PDE10A 661/4885PPARD 3722/4885TP53 1023/4885

“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.