SCHEMBL21594845

SCHEMBL21594845

CCCn1cccc(-c2ccc(CBr)cc2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.36
ITGA4 P13612 3/20 0.36
GRM2 Q14416 12/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL21595055 0.87 BRD4 (0.41) ITGB1ITGA4GRM2NPC1RAB9A
SCHEMBL21595065 0.81 HRH3 (0.43) ITGB1ITGA4NPC1RAB9AKDM4E
SCHEMBL21594830 0.81 ITGB1 (0.36) ITGB1ITGA4NPC1RAB9ALMNA
SCHEMBL27856754 0.79 GRM2 (0.53) GRM2NPC1RAB9ACNR2LMNA
SCHEMBL21595195 0.74 SMYD2 (0.36) ITGB1ITGA4GRM2NPC1RAB9A
SCHEMBL21602105 0.74 NT5E (0.44) ITGB1ITGA4NPC1RAB9ACNR2
SCHEMBL21602066 0.74 KDM4E (0.46) ITGB1ITGA4KDM4EALDH1A1MAPK1
SCHEMBL21602141 0.71 CNR1 (0.39) ITGB1ITGA4CNR2
SCHEMBL608253 0.71 CNR2 (0.43) GRM2NPC1RAB9ACNR2ALDH1A1
SCHEMBL23512903 0.70 HRH3 (0.44) ITGB1ITGA4NPC1RAB9ALMNA

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 10 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-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
EP-3810617-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2021-04-28 EP 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 ITGB1 4043/4885ITGA4 4020/4885GRM2 1647/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ITGB1 4043/4885ITGA4 4020/4885GRM2 1647/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ITGB1 4043/4885ITGA4 4020/4885GRM2 1647/4885
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ITGB1 4043/4885ITGA4 4020/4885GRM2 1647/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ITGB1 4043/4885ITGA4 4020/4885GRM2 1647/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ITGB1 4043/4885ITGA4 4020/4885GRM2 1647/4885

“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.