SCHEMBL396726

SCHEMBL396726

Cn1nccc1-c1ccccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.47
▸ DYRK1B Q9Y463 2/20 0.45
▸ CSNK1A1 P48729 1/20 0.45
▸ TYRO3 Q06418 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAP2K1 Q02750 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ PKMYT1 Q99640 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL2333717 0.84 PARP1 (0.39) BCAT2DYRK1BCSNK1A1TYRO3KDM4E
SCHEMBL28844787 0.82 BCAT2 (0.49) BCAT2DYRK1BCSNK1A1TYRO3KDM4E
SCHEMBL19520434 0.78 PARP1 (0.44) DYRK1BKDM4ENPC1RAB9AALDH1A1
SCHEMBL5254258 0.77 G6PD (0.44) KDM4EALDH1A1MAPTPKMYT1MAPK1
SCHEMBL17026046 0.75 ALDH1A1 (0.46) KDM4EADRA1AALDH1A1MAPTPKMYT1
SCHEMBL1095334 0.74 IDO1 (0.51) KDM4ENPC1RAB9AADRA1DADRA1A
SCHEMBL1529793 0.73 ALDH1A1 (0.40) ALDH1A1MAPTSCN9APKMYT1
SCHEMBL210767 0.72 BCAT2 (0.74) BCAT2DYRK1BCSNK1A1TYRO3KDM4E
SCHEMBL30514077 0.72 BCAT2 (0.74) BCAT2DYRK1BCSNK1A1TYRO3KDM4E
SCHEMBL4531962 0.72 BCAT2 (0.47) BCAT2DYRK1BCSNK1A1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346816-A2 COMPOUNDS FOR USE IN A METHOD FOR TREATING AN AUTOIMMUNE AND INFLAMMATORY DISEASE Cellestia Biotech AG (CH) 2024-04-10 — — EP disclosed
WO-2022253794-A2 METHOD FOR TREATING AN AUTOIMMUNE AND INFLAMMATORY DISEASE CELLESTIA BIOTECH AG (CH) 2022-12-08 — — WO disclosed
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 — — US disclosed
US-7700593-B2 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2010-04-20 — — US disclosed
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2008-07-03 — — US disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 — — 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 (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-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 BCAT2 3850/4885DYRK1B 1088/4885CSNK1A1 85/4885
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof MAPK1, MAP3K1, MAP3K7 BCAT2 2125/4885DYRK1B 704/4885CSNK1A1 76/4885

“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.

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