SCHEMBL3326522

SCHEMBL3326522

CS(=O)(=O)c1ccc(-c2nccnc2N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
PIK3CD O00329 3/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CG P48736 3/20 0.43
AKR1C3 P42330 1/20 0.43
PDGFRB P09619 1/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
SMO Q99835 1/20 0.39
PIK3CB P42338 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
GPR6 P46095 1/20 0.38
GPR119 Q8TDV5 2/20 0.38

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
SCHEMBL3640078 0.83 GPR119 (0.57) CKS1BSKP1SKP2GPR119
SCHEMBL3320915 0.82 SMO (0.51) SMOMEN1KMT2ACKS1BSKP1
SCHEMBL3322612 0.81 SMO (0.51) AKR1C3SMOMEN1KMT2ALMNA
SCHEMBL3320222 0.80 HTR6 (0.46) PTGS1PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL3319476 0.79 KMT2A (0.47) MEN1KMT2ALMNA
SCHEMBL3319285 0.78 SLC6A7 (0.51) SMOMEN1KMT2A
SCHEMBL3322515 0.78 PDGFRB (0.42) PIK3CDPIK3CAPIK3CGPDGFRBSMO
SCHEMBL27643066 0.76 AKR1C3 (0.68) AKR1C3MEN1KMT2ACA12CA9
SCHEMBL3323770 0.75 TRPV1 (0.46)
SCHEMBL3319306 0.74 MAPT (0.47) PIK3CDPIK3CAPIK3CGSMOMEN1

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 2 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-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 PTGS1 394/4885PTGS2 386/4885PIK3CD 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.