SCHEMBL23055423

SCHEMBL23055423

Nc1ccn2ncnc2c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
SMPD3 Q9NY59 7/20 0.35
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
AKT1 P31749 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
PIK3CD O00329 1/20 0.31
GLA P06280 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
PDE10A Q9Y233 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL22821915 0.77 SMPD3 (0.41) MAP4K4SMPD3ALDH1A1HTTKDM4E
SCHEMBL22804172 0.77 MAP4K4 (0.39) MAP4K4SMPD3ALDH1A1HTTKDM4E
SCHEMBL22821756 0.70 SMPD3 (0.34) MAP4K4SMPD3ALDH1A1HTTKDM4E
SCHEMBL23392302 0.69 ALDH1A1 (0.33) MAP4K4ALDH1A1HTTKDM4EAKT1
SCHEMBL31291220 0.67 MAP4K4 (0.36) MAP4K4SMPD3ALDH1A1DYRK1A
SCHEMBL31291221 0.67 MAP4K4 (0.36) MAP4K4SMPD3ALDH1A1DYRK1A
SCHEMBL736971 0.65 NUDT1 (0.50) MAP4K4SMPD3ALDH1A1HTTKDM4E
SCHEMBL17505371 0.63 MAP4K4 (0.36) MAP4K4SMPD3ALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL29445764 0.63 HTT (0.38) MAP4K4SMPD3ALDH1A1HTTKDM4E
SCHEMBL15652300 0.61 DYRK1A (0.33) MAP4K4SMPD3ALDH1A1KDM4EAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
CN-115397467-A Therapeutic agent for tauopathy 住友制药株式会社 2022-11-25 CN disclosed
US-20220347175-A1 PYRIDAZINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-11-03 US disclosed
WO-2021141041-A1 THERAPEUTIC AGENT FOR TAUOPATHIES 大日本住友製薬株式会社 2021-07-15 WO disclosed
EP-3828174-A1 PYRIDAZINONE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-06-02 EP disclosed
EP-3828174-A1 PYRIDAZINONE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-06-02 EP disclosed
WO-2021039961-A1 RING-FUSED PYRAZOLE DERIVATIVE 大日本住友製薬株式会社 2021-03-04 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 (2 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-20220347175-A1 PYRIDAZINONE DERIVATIVE SCN1A, SCN1B, SCN3A MAP4K4 970/4885SMPD3 840/4885ALDH1A1 1429/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 MAP4K4 902/4885SMPD3 814/4885ALDH1A1 4081/4885

“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.