SCHEMBL23757293

SCHEMBL23757293

O=C1NCc2ccc(B(O)O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.51
NTRK2 Q16620 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
TYRO3 Q06418 1/20 0.51
NTRK1 P04629 2/20 0.50
FLT3 P36888 2/20 0.50
GSK3B P49841 2/20 0.50
JAK2 O60674 1/20 0.50
MET P08581 1/20 0.50
FGFR1 P11362 1/20 0.50
PRKACA P17612 1/20 0.50
KDR P35968 1/20 0.50
MAP2K2 P36507 1/20 0.50
MAP2K1 Q02750 1/20 0.50
MST1R Q04912 1/20 0.50
NTRK3 Q16288 1/20 0.50
CAMK1D Q8IU85 1/20 0.50
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
FYN P06241 1/20 0.46

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
SCHEMBL29956179 0.86 CA12 (0.48) CLK4NTRK2DYRK1BTYRO3NTRK1
SCHEMBL20599741 0.86 CA12 (0.48) CLK4NTRK2DYRK1BTYRO3NTRK1
SCHEMBL13086372 0.83 PARP10 (0.58) PARP1PARP10F7F3GRM5
SCHEMBL15962134 0.77 CLK4 (0.54) CLK4NTRK2DYRK1BTYRO3NTRK1
SCHEMBL14847333 0.77 GSK3B (0.58) CLK4NTRK2DYRK1BTYRO3NTRK1
SCHEMBL29584703 0.76 NTRK2 (0.56) CLK4NTRK2DYRK1BTYRO3NTRK1
SCHEMBL4499446 0.76 NTRK2 (0.56) CLK4NTRK2DYRK1BTYRO3NTRK1
SCHEMBL27085978 0.75 NTRK2 (0.51) CLK4NTRK2DYRK1BTYRO3NTRK1
SCHEMBL14847331 0.74 GSK3B (0.45) CLK4NTRK1FLT3GSK3BBRAF
SCHEMBL14847348 0.73 CLK4 (0.51) CLK4NTRK2DYRK1BTYRO3NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 US disclosed
EP-4103559-B1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2026-03-04 EP disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 US disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
CN-115348961-B Heterocyclic PAD4 inhibitors 百时美施贵宝公司 2025-03-04 CN disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20230079863-A1 KHK INHIBITORS GILEAD SCIENCES, INC. 2023-03-16 US disclosed
EP-4103559-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-12-21 EP disclosed
CN-115348961-A Heterocyclic PAD4 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 WO 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 (5 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-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 CLK4 3659/4885NTRK2 4122/4885DYRK1B 1254/4885
US-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 CLK4 181/4885NTRK2 4025/4885DYRK1B 658/4885
US-20230079863-A1 KHK INHIBITORS KHK, KHDRBS1, NADK CLK4 2031/4885NTRK2 2940/4885DYRK1B 1821/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK CLK4 2031/4885NTRK2 2940/4885DYRK1B 1821/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 CLK4 3002/4885NTRK2 4343/4885DYRK1B 2528/4885

“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.