SCHEMBL3174237

SCHEMBL3174237

O=C1NC(=O)c2c(CCCCN3CCCCC3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.47
WEE1 P30291 4/20 0.47
CDK1 P06493 2/20 0.47
TRPM2 O94759 1/20 0.45
PARP1 P09874 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
CCNE2 O96020 2/20 0.44
CDK4 P11802 2/20 0.44
PRKACA P17612 2/20 0.44
PRKACG P22612 2/20 0.44
PRKACB P22694 2/20 0.44
CCND1 P24385 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CAMK2B Q13554 2/20 0.44
CAMK2G Q13555 2/20 0.44
CAMK2D Q13557 2/20 0.44
CAMK2A Q9UQM7 2/20 0.44
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL8554507 0.99 SIGMAR1 (0.47) CHEK1WEE1CDK1TRPM2PARP1
SCHEMBL8557009 0.97 CHEK1 (0.47) CHEK1WEE1CDK1TRPM2PARP1
SCHEMBL8559979 0.93 CHEK1 (0.43) CHEK1WEE1CDK1TRPM2PARP1
SCHEMBL8557596 0.92 CHEK1 (0.44) CHEK1WEE1CDK1TRPM2PARP1
SCHEMBL8667745 0.88 WEE1 (0.40) CHEK1WEE1CDK1TRPM2PARP1
SCHEMBL4910767 0.87 CHEK1 (0.50) CHEK1WEE1CDK1PARP1SIGMAR1
SCHEMBL8554694 0.86 CHEK1 (0.49) CHEK1WEE1CDK1PARP1SIGMAR1
SCHEMBL8559090 0.86 CHEK1 (0.49) CHEK1WEE1CDK1PARP1SIGMAR1
SCHEMBL8558051 0.86 CHEK1 (0.49) CHEK1WEE1CDK1PARP1SIGMAR1
SCHEMBL7986525 0.84 CCR3 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016343-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 US disclosed
US-20100016598-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 US disclosed
US-20100016360-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 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 (3 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-20100016598-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CHEK1 3196/4885WEE1 4126/4885CDK1 2006/4885
US-20100016343-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CHEK1 3196/4885WEE1 4126/4885CDK1 2006/4885
US-20100016360-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CHEK1 3196/4885WEE1 4126/4885CDK1 2006/4885

“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.