SCHEMBL4932385

SCHEMBL4932385

NC(=O)c1ccc(-c2cc(C(=O)N3CCC(F)CC3)nn2-c2cccnc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.41
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PTGS2 P35354 4/20 0.39
KDM1A O60341 2/20 0.39
PIM1 P11309 1/20 0.38
VNN1 O95497 2/20 0.38
FYN P06241 1/20 0.37
GRM1 Q13255 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
SCHEMBL4926833 0.90 GRM1 (0.44) MGLLKDM1AFYNGRM1
SCHEMBL4931318 0.90 PARP1 (0.43) MGLLPTGS2PIM1GRM1
SCHEMBL4927670 0.88 CHRNA7 (0.41) MGLLVNN1FYNGRM1
SCHEMBL4935125 0.87 MGLL (0.47) MGLLPTGS2
SCHEMBL14261654 0.87 KDM1A (0.43) MGLLPTGS2KDM1A
SCHEMBL4930129 0.85 KDM1A (0.48) MGLLKDM1A
SCHEMBL4927907 0.82 KDM1A (0.46) MGLLKDM1A
SCHEMBL4932442 0.79 CHRNA7 (0.39) MGLLKDM1AVNN1FYNGRM1
SCHEMBL4932667 0.79 MGLL (0.46) MGLLPTGS2KDM1A
SCHEMBL4926893 0.78 KDM1A (0.45) MGLLKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 MGLL 4785/4885MKNK1 3178/4885MKNK2 2603/4885

“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.