SCHEMBL5132379

SCHEMBL5132379

CC(C)Nc1nc2ccccn2c(=O)c1-c1ccc(N[C@@H]2CCNC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.43
IRAK4 Q9NWZ3 3/20 0.42
SYK P43405 2/20 0.41
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIK3CD O00329 3/20 0.37
HTR6 P50406 2/20 0.36
ADORA1 P30542 1/20 0.36
BRD4 O60885 1/20 0.36
PRKCI P41743 1/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35

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
SCHEMBL5129132 1.00 USP7 (0.43) USP7IRAK4SYKPIM1PIM2
Hydrochloric Acid SCHEMBL3961197 0.99 USP7 (0.42) USP7IRAK4SYKPIM1PIM2
Hydrochloric Acid SCHEMBL5131422 0.99 USP7 (0.42) USP7IRAK4SYKPIM1PIM2
SCHEMBL3956316 0.87 KDM4E (0.46) IRAK4PIM1PIM2GFERKDM4E
Hydrochloric Acid SCHEMBL3962445 0.86 KDM4E (0.45) IRAK4PIM1PIM2GFERKDM4E
SCHEMBL5131444 0.85 IRAK4 (0.45) IRAK4PIM1PIM2KDM4EALDH1A1
SCHEMBL5131442 0.85 IRAK4 (0.45) IRAK4PIM1PIM2KDM4EALDH1A1
SCHEMBL3961518 0.85 IRAK4 (0.41) IRAK4PIM1PIM2GFERHTR6
Hydrochloric Acid SCHEMBL3955408 0.84 IRAK4 (0.40) IRAK4PIM1PIM2GFERHTR6
Hydrochloric Acid SCHEMBL5132006 0.84 IRAK4 (0.45) IRAK4PIM1PIM2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US claimed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US 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-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS SCN1A, SCN3A, SCN1B USP7 4818/4885IRAK4 1483/4885SYK 2126/4885

“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.