SCHEMBL23828533

SCHEMBL23828533

Cc1nc2cc(N)nc(-c3ccc(S(C)(=O)=O)cc3)n2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.44
JAK2 O60674 3/20 0.40
DHFR P00374 2/20 0.39
ATR Q13535 1/20 0.38
JAK3 P52333 2/20 0.38
PTK2 Q05397 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PTGS1 P23219 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL23828413 0.86 ALDH1A1 (0.40) ATRPIK3CAHDAC6
SCHEMBL23828502 0.80 NPC1 (0.48) PIK3CG
SCHEMBL23828386 0.79 PTGS2 (0.46) PTGS2JAK2ATRJAK3PTK2
SCHEMBL30507590 0.78 PTGS2 (0.46) PTGS2JAK2JAK3PTK2PTGS1
SCHEMBL23828576 0.78 HPGD (0.52) PTGS2PTGS1
SCHEMBL23828557 0.78 AOC3 (0.47) PTGS2JAK2ATRJAK3PTK2
SCHEMBL25330071 0.77 PTGS2 (0.40) PTGS2JAK2DHFRATRJAK3
SCHEMBL23828609 0.75 PIK3CG (0.36) PTGS2PIK3CGPTGS1
SCHEMBL23828457 0.74 TYK2 (0.41) PTGS2
SCHEMBL23828565 0.71 KDM4E (0.46) PTGS2

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-12264161-B2 Heterocyclic adenosine receptor antagonists EXELIXIS, INC. (US) 2025-04-01 US claimed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US claimed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US claimed
US-12264161-B2 Heterocyclic adenosine receptor antagonists EXELIXIS, INC. (US) 2025-04-01 US disclosed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US disclosed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US disclosed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US disclosed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US disclosed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US disclosed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US disclosed
US-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2021-09-23 US disclosed
US-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2021-09-23 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-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists ADORA2A, ADORA1, ADORA3 PTGS2 830/4885JAK2 1948/4885DHFR 514/4885
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists ADORA2A, ADORA1, ADORA3 PTGS2 830/4885JAK2 1948/4885DHFR 514/4885
US-11718622-B2 Heterocyclic adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 PTGS2 830/4885JAK2 1948/4885DHFR 514/4885
US-12264161-B2 Heterocyclic adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 PTGS2 830/4885JAK2 1948/4885DHFR 514/4885

“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.