SCHEMBL15041192

SCHEMBL15041192

CC1CN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(Cc5ccsc5-c5nccs5)c4n3)cc2F)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 0.43
PAK3 O75914 1/20 0.43
PAK4 O96013 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
PAK1 Q13153 1/20 0.43
PAK2 Q13177 1/20 0.43
PKN1 Q16512 1/20 0.43
CDK4 P11802 3/20 0.39
CDK6 Q00534 3/20 0.39
CCNT1 O60563 2/20 0.39
CCND1 P24385 2/20 0.39
CDK9 P50750 2/20 0.39
FLT3 P36888 2/20 0.39
CSF1R P07333 2/20 0.39
PIK3CD O00329 1/20 0.39
PRKAB2 O43741 1/20 0.39
NUAK1 O60285 1/20 0.39
ABL1 P00519 1/20 0.39
FYN P06241 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
SCHEMBL15041217 0.94 WEE1 (0.41) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15034980 0.94 WEE1 (0.45) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15034795 0.88 WEE1 (0.43) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15041630 0.84 WEE1 (0.42) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15041436 0.81 WEE1 (0.42) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15036229 0.80 WEE1 (0.43) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15041757 0.78 PAK3 (0.42) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15041636 0.78 WEE1 (0.41) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15035881 0.78 WEE1 (0.43) WEE1PAK3PAK4LIMK1LIMK2
SCHEMBL15041726 0.78 WEE1 (0.40) WEE1PAK3PAK4LIMK1LIMK2

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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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 (2 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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 WEE1 558/4885PAK3 2/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885PAK3 6/4885PAK4 5/4885

“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.