SCHEMBL2380423

SCHEMBL2380423

NC(=O)c1ccnn2ccnc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.51
ADRA1A P35348 1/20 0.43
MAP2K1 Q02750 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3A P49840 1/20 0.41
PARP1 P09874 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL20199464 0.84 GSK3A (0.42) IRAK4KDM4EL3MBTL1GSK3AHTT
SCHEMBL946897 0.77 IRAK4 (0.68) IRAK4KDM4EHTT
SCHEMBL30521626 0.77 IRAK4 (0.50) IRAK4ADRA1AKDM4EPARP1MKNK1
SCHEMBL1420264 0.75 MKNK1 (0.47) IRAK4ADRA1AMAP2K1CLK4DYRK1B
SCHEMBL31109663 0.75 TGFBR1 (0.43) IRAK4MAP2K1CLK4DYRK1BKDM4E
SCHEMBL21331457 0.74 ALDH1A1 (0.49) KDM4EMAPTHPGDHSD17B10
SCHEMBL17303154 0.74 HTT (0.55) IRAK4GSK3AHTTMAPT
Hydrochloric Acid SCHEMBL30521486 0.74 MKNK1 (0.46) IRAK4ADRA1AMAP2K1CLK4DYRK1B
SCHEMBL11849070 0.74 KDM4E (0.38) IRAK4ADRA1AMAP2K1CLK4DYRK1B
Hydrochloric Acid SCHEMBL31109907 0.73 TGFBR1 (0.42) IRAK4MAP2K1CLK4DYRK1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110225912-B GSK-3 inhibitors 百时美施贵宝公司 2022-10-21 CN claimed
WO-2023151640-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
CN-110225912-B GSK-3 inhibitors 百时美施贵宝公司 2022-10-21 CN disclosed
US-8450354-B2 Substituted imidazo[1,2-b]pyridazine derivatives, pharmaceutical compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-05-28 US disclosed
US-20110237570-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-09-29 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 (1 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-20110237570-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, PSEN1 IRAK4 3666/4885ADRA1A 803/4885MAP2K1 3442/4885

“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.