SCHEMBL21594850

SCHEMBL21594850

C=CCN1CCCN(c2ccc(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.35
PKM P14618 2/20 0.33
TAS2R8 Q9NYW2 1/20 0.33
DRD2 P14416 3/20 0.32
DRD3 P35462 2/20 0.32
KCNH2 Q12809 1/20 0.32
SMYD2 Q9NRG4 2/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
CRY2 Q49AN0 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC1 Q13547 1/20 0.30
ROCK2 O75116 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL28572852 0.85 CYP2D6 (0.39) PER2TAS2R8DRD2DRD3KCNH2
SCHEMBL21594911 0.85 PER2 (0.39) PER2TAS2R8DRD2DRD3KCNH2
SCHEMBL21594937 0.83 SMYD2 (0.35) PER2DRD2DRD3KCNH2SMYD2
SCHEMBL21595114 0.81 PER2 (0.37) PER2TAS2R8DRD2DRD3KCNH2
SCHEMBL21594856 0.79 NT5E (0.36) SMYD2GRM5GRM1
SCHEMBL5482915 0.76 PER2 (0.39) PER2TAS2R8DRD2DRD3KCNH2
SCHEMBL5482922 0.72 SMYD2 (0.38) PER2DRD2DRD3KCNH2SMYD2
SCHEMBL2993811 0.70 PER2 (0.40) PER2DRD2DRD3KCNH2SMYD2
SCHEMBL30555406 0.69 MEN1 (0.35) DRD2DRD3
SCHEMBL1314001 0.69 AGXT (0.42) SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2025-09-23 US disclosed
US-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENT THERAPEUTICS LIMITED (CN) 2024-04-25 US disclosed
CN-112888696-B Exonuclease inhibitors and methods of use thereof 德琪医疗有限公司 2024-04-16 CN disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-26 US disclosed
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
CN-112888696-A Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2021-06-01 CN disclosed
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2019-12-26 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 (6 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-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 PER2 3239/4885PKM 2167/4885TAS2R8 3370/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 PER2 3239/4885PKM 2167/4885TAS2R8 3370/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 PER2 3239/4885PKM 2167/4885TAS2R8 3370/4885
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 PER2 3239/4885PKM 2167/4885TAS2R8 3370/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 PER2 3239/4885PKM 2167/4885TAS2R8 3370/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 PER2 3239/4885PKM 2167/4885TAS2R8 3370/4885

“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.