SCHEMBL309514

SCHEMBL309514

Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN(C(=O)c2cnn3cccnc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SPR P35270 8/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44
NR1H4 Q96RI1 1/20 0.41
SCN9A Q15858 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
SCHEMBL308946 0.87 SYK (0.42) SYKKDM4EGAANPSR1SPR
SCHEMBL308408 0.85 SPR (0.55) SYKKDM4EGAANPSR1SPR
SCHEMBL12965957 0.83 HTT (0.50) KDM4EGAAPOLBHTT
SCHEMBL310252 0.81 SYK (0.43) SYKKDM4EGAANPSR1SPR
SCHEMBL3032008 0.76 CACNA1B (0.60) SYKKDM4EGAANPSR1SPR
SCHEMBL308903 0.76 SPR (0.57) KDM4EGAANPSR1SPRHTR2A
SCHEMBL12965662 0.76 CNR2 (0.52) POLBHTT
SCHEMBL309442 0.75 KDM4E (0.47) SYKKDM4EGAANPSR1SPR
SCHEMBL308489 0.75 KDM4E (0.47) SYKKDM4EGAANPSR1SPR
SCHEMBL309075 0.73 SPR (0.53) KDM4EGAANPSR1SPRHTT

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 SYK 3650/4885KDM4E 3426/4885GAA 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.