SCHEMBL21594965

SCHEMBL21594965

Clc1nc(NCC2CC2)c2nc[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.45
ADORA1 P30542 4/20 0.45
ADORA2A P29274 3/20 0.45
LRRK2 Q5S007 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
ADORA2B P29275 1/20 0.36
CHUK O15111 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
XDH P47989 1/20 0.35
HTR2B P41595 1/20 0.34
MAP4K4 O95819 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GRM4 Q14833 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL27870418 0.93 GRM4 (0.42) ADORA3ADORA1ADORA2AJAK2JAK1
SCHEMBL8563169 0.82 CHUK (0.52) ADORA2ALRRK2TLR7STK4STK3
SCHEMBL7110908 0.78 XDH (0.41) ADORA3ADORA1XDHHTR2BLMNA
SCHEMBL8826250 0.77 JAK2 (0.46) LRRK2STK4STK3CHUKJAK2
SCHEMBL7111201 0.77 ADORA3 (0.41) ADORA3ADORA1ADORA2AADORA2BXDH
SCHEMBL15243476 0.77 SMN1; SMN2 (0.34) XDHHTR2B
SCHEMBL27870443 0.76 GRM4 (0.45) JAK2JAK1MAP4K4KDM4EGRM4
SCHEMBL12963516 0.76 HTT (0.44) ADORA3TLR7XDHHTR2BALDH1A1
SCHEMBL28637054 0.76 CYP3A4 (0.44) LRRK2XDHHTR2BKDM4E
SCHEMBL14196060 0.76 XDH (0.36) ADORA3ADORA1STK3CHUKXDH

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 12 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-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-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
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 ADORA3 23/4885ADORA1 36/4885ADORA2A 27/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA1 36/4885ADORA2A 27/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA1 36/4885ADORA2A 27/4885
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA1 36/4885ADORA2A 27/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA1 36/4885ADORA2A 27/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA1 36/4885ADORA2A 27/4885

“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.