SCHEMBL21602152

SCHEMBL21602152

CCOC(=O)C(=N)c1cscn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 8/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAP3K5 Q99683 1/20 0.39
PKM P14618 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.34
CYP1A2 P05177 2/20 0.34
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 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
SCHEMBL3219052 0.83 KDM4E (0.47) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL21602221 0.81 KDM4E (0.48) KDM4EALDH1A1MAP3K5TSHR
SCHEMBL243257 0.80 MAPT (0.50) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL5269164 0.78 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL8170672 0.78 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL4832474 0.78 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL21595222 0.78 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL4832463 0.78 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAP3K5
Hydrochloric Acid SCHEMBL30101396 0.78 MAPT (0.53) KDM4EALDH1A1KMT2AMEN1MAP3K5
Hydrochloric Acid SCHEMBL27665004 0.78 MAPT (0.53) KDM4EALDH1A1KMT2AMEN1MAP3K5

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 5 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-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2022-11-17 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 (5 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-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 KDM4E 2596/4885ALDH1A1 527/4885KMT2A 3055/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 KDM4E 2596/4885ALDH1A1 527/4885KMT2A 3055/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 KDM4E 2596/4885ALDH1A1 527/4885KMT2A 3055/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 KDM4E 2596/4885ALDH1A1 527/4885KMT2A 3055/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 KDM4E 2596/4885ALDH1A1 527/4885KMT2A 3055/4885

“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.