SCHEMBL14682018

SCHEMBL14682018

CC1CNCCN1c1ccc(Nc2ncc3cc(-c4ccc(-c5ccsc5)cc4C(F)(F)F)c(=O)n(CCN(C)S(C)(=O)=O)c3n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 3/20 0.43
PAK1 Q13153 3/20 0.43
PAK2 Q13177 3/20 0.43
PKN1 Q16512 2/20 0.43
PAK4 O96013 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
TNK2 Q07912 9/20 0.41
WEE1 P30291 1/20 0.35
JAK2 O60674 2/20 0.34
BRD4 O60885 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
JAK1 P23458 1/20 0.34
BRD2 P25440 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL15785289 0.92 PAK3 (0.43) PAK3PAK1PAK2PKN1PAK4
SCHEMBL13553710 0.90 PAK3 (0.43) PAK3PAK1PAK2PKN1PAK4
SCHEMBL15041657 0.82 PAK3 (0.42) PAK3PAK1PAK2PKN1PAK4
SCHEMBL15035097 0.74 PAK1 (0.58) PAK3PAK1PAK2PKN1PAK4
SCHEMBL13553668 0.73 PAK1 (0.57) PAK3PAK1PAK2PKN1PAK4
SCHEMBL15035984 0.72 PAK3 (0.46) PAK3PAK1PAK2PKN1PAK4
SCHEMBL13553832 0.71 PAK1 (0.54) PAK3PAK1PAK2PKN1PAK4
SCHEMBL15036139 0.71 TNK2 (0.44) PAK3PAK1PAK2PKN1PAK4
SCHEMBL14682102 0.71 TNK2 (0.40) PAK3PAK1PAK2PKN1PAK4
SCHEMBL14681943 0.70 PAK3 (0.43) PAK3PAK1PAK2PKN1PAK4

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-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
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 US disclosed
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 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-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 PAK3 4/4885PAK1 5/4885PAK2 1/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK3 6/4885PAK1 4/4885PAK2 2/4885

“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.