SCHEMBL308946

SCHEMBL308946

Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN(C(=O)c2cnn3cccnc23)[C@@H](C)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
IDH1 O75874 1/20 0.39
IRAK4 Q9NWZ3 6/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SPR P35270 6/20 0.37
NR1H4 Q96RI1 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL310252 0.94 SYK (0.43) SYKIDH1IRAK4KDM4EGAA
SCHEMBL309343 0.88 SPR (0.43) SYKIDH1IRAK4KDM4EGAA
SCHEMBL3770851 0.88 SPR (0.43) SYKIDH1IRAK4KDM4EGAA
SCHEMBL309552 0.88 SPR (0.43) SYKIDH1IRAK4KDM4EGAA
SCHEMBL309514 0.87 SYK (0.50) SYKKDM4EGAANPSR1SPR
SCHEMBL12965697 0.85 IDH1 (0.40) IDH1KDM4EALDH1A1
SCHEMBL309678 0.81 IDH1 (0.45) IDH1IRAK4KDM4EGAANPSR1
SCHEMBL308584 0.79 PDE2A (0.48) IDH1IRAK4KDM4EGAANPSR1
SCHEMBL308921 0.79 PDE2A (0.48) IDH1IRAK4KDM4EGAANPSR1
SCHEMBL12965392 0.79 GAA (0.42) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3650/4885IDH1 2988/4885IRAK4 3639/4885

“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.