SCHEMBL3017151

SCHEMBL3017151

COc1ccc(CNc2cc(Cl)nn3ccnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.49
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CLK4 Q9HAZ1 4/20 0.42
CLK1 P49759 2/20 0.42
CLK2 P49760 2/20 0.42
DYRK1A Q13627 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
ASPH Q12797 1/20 0.41
RIOX2 Q8IUF8 1/20 0.41
KDM8 Q8N371 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 3/20 0.41
PTK2 Q05397 3/20 0.41
ZAP70 P43403 1/20 0.41
KARS1 Q15046 1/20 0.41

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
SCHEMBL23993861 0.84 BACE1 (0.44) KDM4EJAK2
SCHEMBL31601929 0.79 RAB9A (0.51) KDM4EJAK2PTK2ACP1
SCHEMBL3527709 0.76 CCNE1 (0.49) CCNE2CCNE1CDK2JAK2PTK2
SCHEMBL31528267 0.76 LMNA (0.41) MEN1KMT2A
SCHEMBL31601802 0.74 PI4KB (0.48) PI4KBCCNE2CCNE1CDK2KDM4E
SCHEMBL22421810 0.74 PI4KB (0.50) PI4KBCCNE2CCNE1CDK2KDM4E
SCHEMBL13351975 0.74 NPC1 (0.52) CCNE2CCNE1CDK2CLK4CLK1
SCHEMBL2640290 0.73 JAK2 (0.56) CCNE2CCNE1CDK2KDM4EMEN1
SCHEMBL23994711 0.73 ESR1 (0.37) MEN1KMT2A
SCHEMBL3017950 0.72 KDM4E (0.45) KDM4EHTTKMT2AJAK2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 US disclosed
US-20240043427-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-02-08 US disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E PI4KB 840/4885CCNE2 2479/4885CCNE1 1173/4885
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 PI4KB 241/4885CCNE2 616/4885CCNE1 598/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 PI4KB 200/4885CCNE2 418/4885CCNE1 468/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E PI4KB 840/4885CCNE2 2479/4885CCNE1 1173/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E PI4KB 1121/4885CCNE2 1975/4885CCNE1 782/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 PI4KB 253/4885CCNE2 477/4885CCNE1 538/4885

“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.