SCHEMBL3322945

SCHEMBL3322945

CC(c1cn[nH]c1)N1CCN(c2nccnc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.38
RPS6KB1 P23443 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
OGA O60502 8/20 0.37
LRRK2 Q5S007 1/20 0.37
KIT P10721 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KMT2A Q03164 1/20 0.36
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
BRAF P15056 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 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
Hydrochloric Acid SCHEMBL3319288 0.88 OGA (0.41) RPS6KB1PIK3CDPIK3CAPIK3CGOGA
SCHEMBL3321856 0.88 RPS6KB1 (0.45) RPS6KB1PIK3CDPIK3CAPIK3CGOGA
Hydrochloric Acid SCHEMBL3323677 0.88 AURKA (0.40) PIK3CDPIK3CAPIK3CGOGALRRK2
SCHEMBL3323030 0.87 PDE4B (0.41) PIK3CDPIK3CAPIK3CGOGALRRK2
SCHEMBL3324899 0.86 RPS6KB1 (0.44) RPS6KB1PIK3CDPIK3CAPIK3CGOGA
SCHEMBL3320166 0.86 OGA (0.40) RPS6KB1OGALRRK2
SCHEMBL3327150 0.86 RPS6KB1 (0.45) RPS6KB1PIK3CDPIK3CAPIK3CGOGA
Hydrochloric Acid SCHEMBL3317319 0.85 OGA (0.45) RPS6KB1OGA
Hydrochloric Acid SCHEMBL3319094 0.85 OGA (0.44) PIK3CDPIK3CAPIK3CGOGALRRK2
SCHEMBL3320721 0.85 OGA (0.36) RPS6KB1PIK3CDPIK3CAPIK3CGOGA

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 AKT1 3031/4885RPS6KB1 1780/4885PIK3CD 3672/4885

“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.