SCHEMBL5654037

SCHEMBL5654037

NC(=O)[CH]c1cccc(-c2cnccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 3/20 0.67
PIM1 P11309 2/20 0.45
ABL1 P00519 1/20 0.44
GRK6 P43250 1/20 0.43
KMO O15229 1/20 0.41
BACE1 P56817 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
P4HB P07237 1/20 0.40
DHFR P00374 1/20 0.39
PRKCI P41743 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CYP11B2 P19099 1/20 0.39
SYK P43405 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39

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
SCHEMBL1313677 0.81 PIM2 (0.65) PIM2PIM1ABL1GRK6BACE1
SCHEMBL30541407 0.81 PIM2 (0.65) PIM2PIM1ABL1GRK6BACE1
SCHEMBL5654405 0.80 MKNK1 (0.56) PIM2PIM1KMOP4HBCYP11B2
SCHEMBL12512870 0.80 PIM2 (1.00) PIM2PIM1P4HB
SCHEMBL4775152 0.76 KMO (0.68) PIM2PIM1ABL1GRK6KMO
SCHEMBL5178207 0.75 WNT3A (0.53) PIM2PIM1ABL1GRK6KMO
SCHEMBL5656090 0.75 CNR1 (0.43) PIM2ABL1KMO
SCHEMBL21290740 0.75 PIM2 (0.55) PIM2PIM1ABL1GRK6KMO
SCHEMBL12551731 0.74 PIM2 (0.56) PIM2PIM1ABL1GRK6KMO
SCHEMBL28529601 0.73 HSD17B1 (0.69) PIM2

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 PIM2 1511/4885PIM1 1868/4885ABL1 3713/4885

“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.