SCHEMBL308749

SCHEMBL308749

C[C@@H]1CN(C(=O)c2cnn3cccnc23)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.49
SPR P35270 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD11B1 P28845 4/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MMP1 P03956 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
SCN9A Q15858 2/20 0.41
MGLL Q99685 1/20 0.40
POLB P06746 1/20 0.40
AKR1C3 P42330 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39

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
SCHEMBL310141 1.00 PDE2A (0.49) PDE2ASPRGAANPSR1KDM4E
SCHEMBL308489 0.89 KDM4E (0.47) SPRGAANPSR1KDM4EHSD11B1
SCHEMBL309442 0.89 KDM4E (0.47) SPRGAANPSR1KDM4EHSD11B1
SCHEMBL308903 0.86 SPR (0.57) PDE2ASPRGAANPSR1KDM4E
SCHEMBL308584 0.86 PDE2A (0.48) PDE2ASPRGAANPSR1KDM4E
SCHEMBL308921 0.86 PDE2A (0.48) PDE2ASPRGAANPSR1KDM4E
SCHEMBL3704136 0.77 HSD11B1 (0.58) HSD11B1MMP1MMP9MMP13AKR1C3
SCHEMBL3696020 0.77 HSD11B1 (0.58) HSD11B1MMP1MMP9MMP13AKR1C3
SCHEMBL309552 0.75 SPR (0.43) SPRGAANPSR1KDM4EHSD11B1
SCHEMBL3770851 0.75 SPR (0.43) SPRGAANPSR1KDM4EHSD11B1

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 9 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
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
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

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 4446/4885GAA 3542/4885

“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.