SCHEMBL17828247

SCHEMBL17828247

Nc1cc2c(cn1)OCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.49
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
PRKCI P41743 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PI4K2A Q9BTU6 1/20 0.34
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 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
SCHEMBL17769943 0.89 NOS3 (0.55) DYRK1ANOS3NOS1NOS2MAPT
SCHEMBL21680138 0.77 MAPT (0.41) DYRK1ANOS3NOS1NOS2MAPT
SCHEMBL21371861 0.76 DYRK1A (0.38) DYRK1AMAPTRAB9APRKCISMN1; SMN2
SCHEMBL20073453 0.76 DYRK1A (0.38) DYRK1AMAPTRAB9APRKCISMN1; SMN2
SCHEMBL17828248 0.76 DYRK1A (0.38) DYRK1AMAPTRAB9APRKCISMN1; SMN2
SCHEMBL13114355 0.76 DYRK1A (0.38) DYRK1AMAPTRAB9APRKCISMN1; SMN2
SCHEMBL23349388 0.72 MAPT (0.39) DYRK1AMAPTRAB9APRKCISMN1; SMN2
SCHEMBL2939393 0.72 PRKCI (0.38) DYRK1AMAPTRAB9APRKCISMN1; SMN2
SCHEMBL12526762 0.72 OGA (0.37) DYRK1AMAPTRAB9APRKCISMN1; SMN2
SCHEMBL30718843 0.72 ERN1 (0.41) DYRK1AMAPTRAB9APRKCISMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199611-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2024-06-20 US disclosed
EP-4028399-B1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2024-02-14 EP disclosed
EP-4308239-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2024-01-24 EP disclosed
CN-117396475-A Antibacterial compounds 爱尔兰詹森科学公司 2024-01-12 CN disclosed
US-20220340564-A1 ANTIBACTERIAL COMPOUNDS JANSSEN-CILAG (FR) 2022-10-27 US disclosed
WO-2022194803-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-09-22 WO disclosed
EP-4028399-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-07-20 EP disclosed
WO-2021048342-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-03-18 WO disclosed
WO-2021048342-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-03-18 WO disclosed
US-9975910-B2 Hetero-fused cyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-22 US disclosed
US-9975910-B2 Hetero-fused cyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-22 US disclosed
US-20160168176-A1 HETERO-FUSED CYCLIC COMPOUND Eisai R&D Management Co., Lt.d (JP) 2016-06-16 US disclosed
US-20160168176-A1 HETERO-FUSED CYCLIC COMPOUND Eisai R&D Management Co., Lt.d (JP) 2016-06-16 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 (3 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-20240199611-A1 ANTIBACTERIAL COMPOUNDS FDPS, MT-ND4, NDUFS3 DYRK1A 4544/4885NOS3 1441/4885NOS1 1335/4885
US-20160168176-A1 HETERO-FUSED CYCLIC COMPOUND NR3C2, NR1H4, NR1I3 DYRK1A 3435/4885NOS3 2205/4885NOS1 3163/4885
US-20220340564-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 DYRK1A 4495/4885NOS3 1474/4885NOS1 1496/4885

“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.