SCHEMBL30438994

SCHEMBL30438994

NC1(CNC(=O)c2ccc(-c3cncc(-c4cncc(F)c4)n3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.39
GSK3B P49841 4/20 0.39
AKR1C3 P42330 5/20 0.38
ABL1 P00519 1/20 0.38
CHEK1 O14757 2/20 0.37
AKT1 P31749 3/20 0.36
RPS6KB1 P23443 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL25257863 1.00 DYRK1A (0.39) DYRK1AGSK3BAKR1C3ABL1CHEK1
Hydrochloric Acid SCHEMBL30439503 0.99 DYRK1A (0.38) DYRK1AGSK3BAKR1C3ABL1CHEK1
SCHEMBL30438490 0.96 DYRK1A (0.38) DYRK1AGSK3BAKR1C3ABL1CHEK1
SCHEMBL25213710 0.96 DYRK1A (0.38) DYRK1AGSK3BAKR1C3ABL1CHEK1
Hydrochloric Acid SCHEMBL30438968 0.95 DYRK1A (0.37) DYRK1AGSK3BAKR1C3ABL1CHEK1
Trifluoroacetic Acid SCHEMBL30438765 0.94 AKR1C3 (0.37) DYRK1AGSK3BAKR1C3CHEK1ELOVL6
Sulfuric Acid SCHEMBL30439116 0.92 AKR1C3 (0.38) DYRK1AGSK3BAKR1C3ABL1CHEK1
Trifluoroacetic Acid SCHEMBL30439111 0.90 AKR1C3 (0.37) DYRK1AGSK3BAKR1C3ELOVL6
SCHEMBL25245022 0.85 DYRK1A (0.38) DYRK1AGSK3BAKR1C3ABL1CHEK1
SCHEMBL25250558 0.84 AKR1C3 (0.38) DYRK1AGSK3BAKR1C3ABL1CHEK1

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
US-20250122167-A1 Pyrazine Compounds Useful in the Treatment of Parasitic Protozoal Infection GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-04-17 US claimed
EP-4436960-A1 PYRAZINE COMPOUNDS USEFUL IN THE TREATMENT OF PARASITIC PROTOZOAL INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-10-02 EP claimed
WO-2023094305-A1 PYRAZINE COMPOUNDS USEFUL IN THE TREATMENT OF PARASITIC PROTOZOAL INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-06-01 WO claimed
US-20250122167-A1 Pyrazine Compounds Useful in the Treatment of Parasitic Protozoal Infection GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-04-17 US disclosed
EP-4436960-A1 PYRAZINE COMPOUNDS USEFUL IN THE TREATMENT OF PARASITIC PROTOZOAL INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-10-02 EP disclosed
WO-2023094305-A1 PYRAZINE COMPOUNDS USEFUL IN THE TREATMENT OF PARASITIC PROTOZOAL INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-06-01 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 (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-20250122167-A1 Pyrazine Compounds Useful in the Treatment of Parasitic Protozoal Infection CYP3A5, CYP3A43, CYP51A1 DYRK1A 3328/4885GSK3B 3329/4885AKR1C3 1239/4885

“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.