SCHEMBL3322374

SCHEMBL3322374

Cc1n[nH]cc1C(c1ccccc1)N1CCN(c2nccnc2-c2ccc(Cn3ccnn3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RPS6KB1 P23443 1/20 0.34
NPSR1 Q6W5P4 4/20 0.32
LMNA P02545 2/20 0.32
ROCK2 O75116 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ACHE P22303 2/20 0.32
BACE1 P56817 1/20 0.32
MAPK1 P28482 3/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
P2RX7 Q99572 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 3/20 0.31
ALDH1A1 P00352 3/20 0.31

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
SCHEMBL3319668 0.87 MEN1 (0.38) CYP19A1MEN1KMT2ARPS6KB1NPSR1
SCHEMBL3322684 0.87 MEN1 (0.38) MEN1KMT2ARPS6KB1NPSR1LMNA
Hydrochloric Acid SCHEMBL3320444 0.86 MEN1 (0.38) CYP19A1MEN1KMT2ARPS6KB1NPSR1
SCHEMBL3325588 0.85 MAPT (0.36) MEN1KMT2ARPS6KB1NPSR1LMNA
Hydrochloric Acid SCHEMBL3322096 0.82 ABCC1 (0.33) MEN1KMT2ARPS6KB1NPSR1LMNA
Hydrochloric Acid SCHEMBL3321180 0.82 RPS6KB1 (0.43) MEN1KMT2ARPS6KB1NPSR1LMNA
Hydrochloric Acid SCHEMBL3322662 0.80 LMNA (0.39) MEN1KMT2ANPSR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL3327433 0.79 OPRD1 (0.43) MEN1KMT2ANPSR1ACHEMAPK1
SCHEMBL124436 0.77 NPSR1 (0.41) MEN1KMT2ANPSR1LMNAABCB1
Hydrochloric Acid SCHEMBL3322783 0.75 NPY2R (0.35) MEN1KMT2ARPS6KB1LMNAABCB1

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 CYP19A1 1879/4885MEN1 927/4885KMT2A 2273/4885

“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.