SCHEMBL4986392

SCHEMBL4986392

CC(NC(=O)c1ccc2ncccc2c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.63
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
LMNA P02545 4/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CLK1 P49759 2/20 0.59
MAPK1 P28482 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALOX15 P16050 1/20 0.56
HTT P42858 1/20 0.56
ROCK2 O75116 1/20 0.55
RPS6KA5 O75582 1/20 0.55
MAP4K4 O95819 1/20 0.55
CDK1 P06493 1/20 0.55
CSF1R P07333 1/20 0.55
PRKACA P17612 1/20 0.55
FLT1 P17948 1/20 0.55
RPS6KB1 P23443 1/20 0.55

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
SCHEMBL5006955 0.87 CLK1 (0.62) PLK1TAS1R3TAS1R1CLK1MAPK1
SCHEMBL31425751 0.87 PLK1 (0.66) PLK1TAS1R3TAS1R1LMNAALDH1A1
SCHEMBL30025133 0.87 PLK1 (0.66) PLK1TAS1R3TAS1R1LMNAALDH1A1
SCHEMBL5007649 0.85 ROCK2 (0.63) TAS1R3TAS1R1MAPK1ROCK2RPS6KA5
SCHEMBL4984488 0.84 ALDH1A1 (0.65) PLK1TAS1R3TAS1R1LMNAALDH1A1
SCHEMBL4981855 0.81 S1PR2 (0.67) PLK1TAS1R3TAS1R1LMNAALDH1A1
SCHEMBL5010043 0.81 TAS1R3 (0.59) PLK1TAS1R3TAS1R1LMNAALDH1A1
SCHEMBL5006937 0.80 ALDH1A1 (0.55) PLK1TAS1R3TAS1R1LMNAALDH1A1
SCHEMBL16735576 0.80 ALDH1A1 (0.56) LMNAALDH1A1CLK1MAPK1MEN1
SCHEMBL5661493 0.80 NPC1 (0.67) LMNAALDH1A1SMN1; SMN2CLK1MEN1

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-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 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-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 PLK1 4757/4885TAS1R3 415/4885TAS1R1 166/4885

“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.