SCHEMBL21595065

SCHEMBL21595065

Cn1cccc(-c2ccc(CBr)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
ITGB1 P05556 4/20 0.43
ITGA4 P13612 4/20 0.43
ITGB7 P26010 1/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
P2RX7 Q99572 2/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
BRD4 O60885 2/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.33
KDR P35968 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
SCHEMBL23512903 0.85 HRH3 (0.44) HRH3ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL21594845 0.81 ITGB1 (0.36) ITGB1ITGA4ALDH1A1KDM4ERAB9A
SCHEMBL29348780 0.81 HRH3 (0.43) HRH3ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL25146739 0.81 ITGB1 (0.49) HRH3ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL11575773 0.78 KDM4E (0.54) HRH3ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL26240869 0.77 CHEK1 (0.46) HRH3ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL12987761 0.77 HRH3 (0.43) HRH3ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL21594830 0.77 ITGB1 (0.36) ITGB1ITGA4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27503244 0.74 ITGB1 (0.54) ITGB1ITGA4ITGB7KDM4EPKM
SCHEMBL27503243 0.74 ITGB1 (0.54) ITGB1ITGA4ITGB7KDM4EPKM

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 HRH3 828/4885ITGB1 4043/4885ITGA4 4020/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 HRH3 828/4885ITGB1 4043/4885ITGA4 4020/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 HRH3 828/4885ITGB1 4043/4885ITGA4 4020/4885
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 HRH3 828/4885ITGB1 4043/4885ITGA4 4020/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 HRH3 828/4885ITGB1 4043/4885ITGA4 4020/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 HRH3 828/4885ITGB1 4043/4885ITGA4 4020/4885

“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.