SCHEMBL3326882

SCHEMBL3326882

Cc1c(C=O)cnn1-c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.39
RPTOR Q8N122 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
MAPK1 P28482 1/20 0.38
S1PR4 O95977 1/20 0.36
NAMPT P43490 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FLT3 P36888 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ERN1 O75460 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL10312521 0.84 RAB9A (0.46) MTORRPTORMLST8MAPK1S1PR4
SCHEMBL1566534 0.84 MAPK1 (0.54) MTORRPTORMLST8MAPK1ALDH1A1
SCHEMBL16245851 0.81 PKM (0.44) MTORRPTORMLST8S1PR4NPBWR1
SCHEMBL597464 0.81 HCAR2 (0.43) MTORRPTORMLST8MAPK1S1PR4
SCHEMBL3321542 0.81 S1PR4 (0.52) MTORRPTORMLST8S1PR4NPBWR1
SCHEMBL598575 0.79 NPBWR1 (0.55) S1PR4NPBWR1MCHR1ALDH1A1KMT2A
SCHEMBL12922837 0.76 MAPK1 (0.40) MAPK1NAMPTFLT3MAPTGRM4
SCHEMBL6357575 0.74 LMNA (0.44) NPBWR1MCHR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25223163 0.73 PKM (0.51) MAPK1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL25246125 0.73 CYP1A2 (0.38) MAPK1NAMPTALDH1A1KMT2ASMN1; SMN2

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 5 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
EP-2155717-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) 2010-02-24 EP disclosed
WO-2008141020-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) 2008-11-20 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-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 MTOR 2357/4885RPTOR 4011/4885MLST8 3256/4885

“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.