SCHEMBL7855434

SCHEMBL7855434

CC(C)([3CH3])OC(=O)Nc1cnc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR65 Q8IYL9 1/20 0.40
KCNQ3 O43525 13/20 0.39
KCNQ2 O43526 13/20 0.39
KCNE1 P15382 10/20 0.39
KCNQ1 P51787 10/20 0.39
P2RX3 P56373 1/20 0.38
CYP17A1 P05093 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
BACE1 P56817 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL29948300 0.90 CYP17A1 (0.46) GPR65KCNQ3KCNQ2P2RX3CYP17A1
SCHEMBL1970778 0.90 CYP17A1 (0.46) GPR65KCNQ3KCNQ2P2RX3CYP17A1
SCHEMBL3344049 0.78 AAK1 (0.45) KCNQ3KCNQ2P2RX3CYP17A1AAK1
SCHEMBL1971452 0.77 GPR65 (0.43) GPR65KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL16879643 0.75 ATR (0.44) P2RX3AAK1
SCHEMBL29953353 0.74 ATR (0.41) P2RX3CYP17A1AAK1
SCHEMBL535514 0.74 ATR (0.43) P2RX3AAK1
SCHEMBL1581324 0.72 ATR (0.42) P2RX3CYP17A1AAK1
SCHEMBL12584018 0.72 MAPKAPK2 (0.43) P2RX3AAK1
SCHEMBL29364468 0.72 ATR (0.42) P2RX3CYP17A1AAK1

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-7902195-B2 Pyridine [3,4-b] pyrazinones PHARMACIA & UPJOHN COMPANY LLC (US) 2011-03-08 US disclosed
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones PFIZER INC 2007-10-25 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-20070249615-A1 Pyridine [3,4-b] Pyrazinones CYP2B6, CYP2D6, CYP4B1 GPR65 3113/4885KCNQ3 514/4885KCNQ2 436/4885

“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.