Sugi Predict

Sugi Predict / Compounds / SCHEMBL308584

SCHEMBL308584

SCHEMBL308584

C[C@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCN1C(=O)c1cnn2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.48
▸ SPR P35270 1/20 0.46
▸ SCN9A Q15858 2/20 0.43
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL308921 1.00 PDE2A (0.48) PDE2ASPRSCN9AHDAC3HDAC4
SCHEMBL309343 0.89 SPR (0.43) SPRHDAC3HDAC4HDAC1HDAC7
SCHEMBL309552 0.89 SPR (0.43) SPRHDAC3HDAC4HDAC1HDAC7
SCHEMBL3770851 0.89 SPR (0.43) SPRHDAC3HDAC4HDAC1HDAC7
SCHEMBL310141 0.86 PDE2A (0.49) PDE2ASPRSCN9AGAANPSR1
SCHEMBL308749 0.86 PDE2A (0.49) PDE2ASPRSCN9AGAANPSR1
SCHEMBL308903 0.85 SPR (0.57) PDE2ASPRSCN9AHDAC3HDAC4
SCHEMBL2833646 0.84 MEN1 (0.45) SPRSCN9AHDAC3HDAC4HDAC1
SCHEMBL2833162 0.84 MEN1 (0.45) SPRSCN9AHDAC3HDAC4HDAC1
SCHEMBL310252 0.80 SYK (0.43) SPRLMNAGAANPSR1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313413-B1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2012-05-16 — — EP disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 — — US disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 — — US disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 — — US disclosed
EP-2313413-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2011-04-27 — — EP disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — US disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 — — WO disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 — — 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D PDE2A 660/4885SPR 4446/4885SCN9A 312/4885

“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.