SCHEMBL21601974

SCHEMBL21601974

CCOC(=O)C(=N)c1csc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGDS O60760 2/20 0.46
CDC7 O00311 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL2080725 0.83 RAB9A (0.68) HDAC1HDAC8HDAC6RAB9AGAA
SCHEMBL4806955 0.82 MEN1 (0.52) HDAC1HDAC8HDAC6RAB9AGAA
SCHEMBL4806945 0.82 MEN1 (0.52) HDAC1HDAC8HDAC6RAB9AGAA
SCHEMBL30194989 0.82 HDAC1 (0.49) HDAC1HDAC8HDAC6RAB9AGAA
SCHEMBL5753728 0.79 HDAC1 (0.55) HDAC1HDAC8HDAC6RAB9AGAA
SCHEMBL24683162 0.79 MAPT (0.45) RAB9AGAATDP1ALDH1A1CYP1A2
SCHEMBL24682625 0.76 MAPT (0.43) RAB9AGAATDP1ALDH1A1CYP1A2
SCHEMBL17742732 0.76 HDAC1 (0.60) HDAC1HDAC8HDAC6GAATDP1
SCHEMBL14564380 0.75 RAB9A (0.58) HDAC1HDAC8HDAC6RAB9AGAA
SCHEMBL24983552 0.75 RAB9A (0.49) RAB9AGAATDP1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (4 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-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 HDAC1 3062/4885HDAC8 1942/4885HDAC6 1711/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 HDAC1 3062/4885HDAC8 1942/4885HDAC6 1711/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 HDAC1 3062/4885HDAC8 1942/4885HDAC6 1711/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 HDAC1 3062/4885HDAC8 1942/4885HDAC6 1711/4885

“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.