SCHEMBL308489

SCHEMBL308489

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HSD11B1 P28845 11/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SYK P43405 1/20 0.45
SPR P35270 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL309442 1.00 KDM4E (0.47) KDM4EHSD11B1GAANPSR1SYK
SCHEMBL308749 0.89 PDE2A (0.49) KDM4EHSD11B1GAANPSR1SPR
SCHEMBL310141 0.89 PDE2A (0.49) KDM4EHSD11B1GAANPSR1SPR
SCHEMBL308408 0.85 SPR (0.55) KDM4EHSD11B1GAANPSR1SYK
SCHEMBL309552 0.85 SPR (0.43) KDM4EHSD11B1GAANPSR1SYK
SCHEMBL309343 0.85 SPR (0.43) KDM4EHSD11B1GAANPSR1SYK
SCHEMBL3770851 0.85 SPR (0.43) KDM4EHSD11B1GAANPSR1SYK
SCHEMBL12965958 0.83 HSD11B1 (0.53) HSD11B1
SCHEMBL12965667 0.83 HSD11B1 (0.53) HSD11B1
Formic Acid SCHEMBL1430011 0.80 HSD11B1 (0.50) HSD11B1

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 8 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
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
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 KDM4E 3426/4885HSD11B1 4779/4885GAA 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.