SCHEMBL4582007

SCHEMBL4582007

CCNc1cc(C(N)=O)ccc1-c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.47
VNN1 O95497 1/20 0.44
IDH2 P48735 2/20 0.42
NTRK1 P04629 1/20 0.41
MET P08581 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41
GSK3B P49841 1/20 0.41
NTRK3 Q16288 1/20 0.41
ALK Q9UM73 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
RORC P51449 1/20 0.40
PTGER3 P43115 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
PTGS2 P35354 1/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL4581084 0.79 CAMKK2 (0.48) CAMKK2VNN1NTRK1METPIM1
SCHEMBL3655412 0.76 CAMKK2 (0.55) CAMKK2VNN1FLT3PTGS2ALDH1A1
SCHEMBL29503163 0.73 GAA (0.55) VNN1ALDH1A1GAAHSD17B10LMNA
SCHEMBL1397448 0.73 GAA (0.55) VNN1ALDH1A1GAAHSD17B10LMNA
SCHEMBL3698515 0.71 PARP1 (0.44) FLT3RORCBTKMKNK1MKNK2
SCHEMBL9311576 0.69 JAK2 (0.45) IDH2NTRK1METPIM1FGFR1
SCHEMBL8744131 0.67 HDAC1 (0.50) MKNK1MKNK2
SCHEMBL3727018 0.67 PTGS2 (0.60) CAMKK2FLT3RORCPTGS2LRRK2
SCHEMBL15407730 0.66 MET (0.47) CAMKK2NTRK1METPIM1FGFR1
SCHEMBL6243674 0.66 KCNH2 (0.50) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 CAMKK2 4449/4885VNN1 2557/4885IDH2 298/4885

“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.