SCHEMBL309840

SCHEMBL309840

Cc1cnc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4C)C[C@@H]3C)cnn2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.40
HSD11B1 P28845 2/20 0.39
PDE2A O00408 2/20 0.35
TRPV4 Q9HBA0 1/20 0.34
GAA P10253 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
IDH1 O75874 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL309665 0.92 EGLN1 (0.38) EGLN1HSD11B1TRPV4HCRTR1HCRTR2
SCHEMBL308959 0.92 HSD11B1 (0.38) EGLN1HSD11B1TRPV4HCRTR1HCRTR2
SCHEMBL309678 0.88 IDH1 (0.45) EGLN1GAAIDH1
SCHEMBL13510913 0.86 EGLN1 (0.40) EGLN1TRPV4GAAPDK1PDK2
SCHEMBL2840624 0.82 EGLN1 (0.46) EGLN1TRPV4PDK1PDK2PDK3
SCHEMBL10042207 0.82 CCR6 (0.44) HSD11B1
SCHEMBL2833231 0.79 EGLN1 (0.39) EGLN1TRPV4GAAHCRTR1HCRTR2
SCHEMBL1429552 0.79 EGLN1 (0.51) EGLN1PDK1PDK2PDK3PDK4
SCHEMBL2834502 0.79 EGLN1 (0.51) EGLN1PDK1PDK2PDK3PDK4
SCHEMBL2836332 0.78 TRPV4 (0.42) EGLN1HSD11B1TRPV4GAAPDK1

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
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 EGLN1 3078/4885HSD11B1 4779/4885PDE2A 660/4885

“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.