SCHEMBL5656090

SCHEMBL5656090

NC(=O)[CH]c1cccc(-c2cncnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ATM Q13315 1/20 0.42
ERN1 O75460 1/20 0.41
MKNK1 Q9BUB5 4/20 0.40
MKNK2 Q9HBH9 4/20 0.40
CYP2A6 P11509 1/20 0.40
KAT6A Q92794 1/20 0.40
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
KMO O15229 1/20 0.38
ABL1 P00519 3/20 0.38
PIM2 Q9P1W9 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
KCNH2 Q12809 1/20 0.36
CTSK P43235 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
SCHEMBL5654405 0.85 MKNK1 (0.56) CNR1ERN1MKNK1MKNK2CYP2A6
SCHEMBL8348566 0.79 ERN1 (0.50) CNR1CNR2ATMERN1CYP2A6
SCHEMBL3661330 0.76 CCNT1 (0.52) ERN1MKNK1MKNK2KAT6AKMO
SCHEMBL17127157 0.75 ATM (0.48) CNR1CNR2ATMERN1MKNK1
SCHEMBL5458318 0.75 ATM (0.48) CNR1CNR2ATMERN1MKNK1
SCHEMBL5654037 0.75 PIM2 (0.67) KMOABL1PIM2
SCHEMBL5675922 0.75 MAP4K4 (0.44) MKNK1MKNK2CYP2A6TRIM24TRIM33
SCHEMBL5849078 0.75 CYP2A6 (0.45) ERN1MKNK1MKNK2CYP2A6TRIM24
SCHEMBL4313820 0.73 HCAR2 (0.42) IKBKBCHUKPKN1PKN2
SCHEMBL22089054 0.73 ATM (0.67) CNR1CNR2ATMERN1MKNK1

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-7091202-B2 4-arylspirocycloalkyl-2-aminopyrimidine carboxamide KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-15 US disclosed
US-20060063790-A1 4-Arylspirocycloalkyl-2-aminopyrimidine carboxamide KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 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-20060063790-A1 4-Arylspirocycloalkyl-2-aminopyrimidine carboxamide KCNQ potassium channel modulators KCNQ2, KCNQ1, KCNQ4 CNR1 166/4885CNR2 170/4885ATM 4559/4885

“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.