SCHEMBL14824717

SCHEMBL14824717

CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2C)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 4/20 0.87
PAK4 O96013 3/20 0.87
PAK1 Q13153 4/20 0.51
PAK2 Q13177 3/20 0.49
PAK3 O75914 2/20 0.49
WEE1 P30291 1/20 0.48
TNK2 Q07912 8/20 0.47
MAP4K1 Q92918 4/20 0.47

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
SCHEMBL14824718 0.93 PKN1 (0.84) PKN1PAK4PAK1PAK2PAK3
SCHEMBL14824815 0.93 PKN1 (1.00) PKN1PAK4PAK1PAK2PAK3
SCHEMBL14824712 0.93 PKN1 (0.84) PKN1PAK4PAK1PAK2PAK3
SCHEMBL14824715 0.92 PAK4 (0.73) PKN1PAK4WEE1TNK2MAP4K1
SCHEMBL14824839 0.90 PKN1 (0.80) PKN1PAK4PAK1PAK2PAK3
SCHEMBL14824840 0.88 PKN1 (0.77) PKN1PAK4PAK1PAK2PAK3
SCHEMBL15036500 0.87 PKN1 (0.89) PKN1PAK4PAK1PAK2PAK3
SCHEMBL15035178 0.87 PKN1 (0.66) PKN1PAK4PAK1PAK2PAK3
SCHEMBL14824833 0.86 PKN1 (0.66) PKN1PAK4PAK1PAK2PAK3
SCHEMBL15035156 0.85 PKN1 (0.86) PKN1PAK4PAK1PAK2PAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 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
WO-2013086451-A2 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-13 WO disclosed
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 WO 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PKN1 326/4885PAK4 5/4885PAK1 4/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 PKN1 182/4885PAK4 5/4885PAK1 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.