SCHEMBL15034862

SCHEMBL15034862

CC1CN(c2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5scnc5C5CC5)c4n3)cc2F)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 1/20 0.42
PAK4 O96013 1/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
PAK1 Q13153 1/20 0.42
PAK2 Q13177 1/20 0.42
PKN1 Q16512 1/20 0.42
WEE1 P30291 3/20 0.41
CDK4 P11802 6/20 0.40
CCND1 P24385 6/20 0.40
CDK2 P24941 3/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNE1 P24864 2/20 0.40
JAK3 P52333 7/20 0.39
TNK2 Q07912 1/20 0.38
CCNT1 O60563 3/20 0.37
CCND3 P30281 3/20 0.37
CDK9 P50750 3/20 0.37
CDK6 Q00534 3/20 0.37

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
SCHEMBL15035848 0.87 PAK3 (0.41) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15034968 0.81 WEE1 (0.41) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035767 0.81 PAK3 (0.40) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035391 0.77 WEE1 (0.45) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035491 0.76 WEE1 (0.46) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15785320 0.75 PAK3 (0.45) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15036355 0.75 WEE1 (0.41) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15036229 0.73 WEE1 (0.43) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15034979 0.72 PAK3 (0.48) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15034937 0.72 PAK3 (0.43) PAK3PAK4LIMK1LIMK2PAK1

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 4 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-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
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 PAK3 2/4885PAK4 5/4885LIMK1 673/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK3 6/4885PAK4 5/4885LIMK1 105/4885

“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.