SCHEMBL3323689

SCHEMBL3323689

Cc1cc(-c2nccnc2N2CCN(C(C)c3cn[nH]c3)CC2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.39
OGA O60502 9/20 0.39
SLC9A2 Q9UBY0 1/20 0.37
RPS6KB1 P23443 7/20 0.37
LRRK2 Q5S007 1/20 0.36
AKT1 P31749 4/20 0.35

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
SCHEMBL3320166 0.92 OGA (0.40) OGARPS6KB1LRRK2
SCHEMBL3327150 0.89 RPS6KB1 (0.45) OGARPS6KB1LRRK2
SCHEMBL3321856 0.89 RPS6KB1 (0.45) SLC9A1OGARPS6KB1
SCHEMBL3324899 0.88 RPS6KB1 (0.44) OGARPS6KB1LRRK2
Hydrochloric Acid SCHEMBL3319288 0.85 OGA (0.41) OGARPS6KB1LRRK2
SCHEMBL3324121 0.85 RPS6KB1 (0.42) OGARPS6KB1LRRK2
SCHEMBL3322396 0.84 OGA (0.42) OGARPS6KB1LRRK2
SCHEMBL3322945 0.84 AKT1 (0.38) OGARPS6KB1LRRK2AKT1
SCHEMBL3322908 0.84 OGA (0.41) OGARPS6KB1LRRK2
Hydrochloric Acid SCHEMBL3325646 0.83 OGA (0.40) OGALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 EP disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 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-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 SLC9A1 1800/4885OGA 4259/4885SLC9A2 1523/4885

“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.