SCHEMBL14824628

SCHEMBL14824628

CCn1c(=O)c(-c2ccc(-c3cccnc3F)cc2Cl)cc2cnc(Nc3ccc(C4=CCN(C)CC4)cc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 6/20 0.56
PKN1 Q16512 5/20 0.56
PAK4 O96013 4/20 0.56
PAK2 Q13177 5/20 0.56
PAK3 O75914 4/20 0.56
WEE1 P30291 1/20 0.51
LIMK1 P53667 1/20 0.51
LIMK2 P53671 1/20 0.51
FGFR1 P11362 3/20 0.49
EGFR P00533 2/20 0.49
SIK2 Q9H0K1 5/20 0.46
STK26 Q9P289 5/20 0.46
STK4 Q13043 4/20 0.46
STK3 Q13188 4/20 0.46
STK24 Q9Y6E0 4/20 0.46
JAK3 P52333 1/20 0.45
MAP2K4 P45985 1/20 0.44
SIK1 P57059 1/20 0.44
TEK Q02763 1/20 0.44
MELK Q14680 1/20 0.44

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
SCHEMBL14824627 0.94 PAK1 (0.57) PAK1PKN1PAK4PAK2PAK3
SCHEMBL15035136 0.89 PAK1 (0.58) PAK1PKN1PAK4PAK2PAK3
SCHEMBL14824731 0.88 PAK1 (0.55) PAK1PKN1PAK4PAK2PAK3
SCHEMBL13554054 0.87 PAK1 (0.74) PAK1PKN1PAK4PAK2PAK3
SCHEMBL15030307 0.87 PKN1 (0.71) PAK1PKN1PAK4PAK2PAK3
SCHEMBL14824700 0.85 PAK1 (0.54) PAK1PKN1PAK4PAK2PAK3
SCHEMBL15035142 0.84 PKN1 (0.63) PAK1PKN1PAK4PAK2PAK3
SCHEMBL15030208 0.84 PKN1 (0.59) PAK1PKN1PAK4PAK2PAK3
SCHEMBL15030305 0.83 PKN1 (0.77) PAK1PKN1PAK4PAK2PAK3
SCHEMBL15030460 0.83 PAK1 (0.54) PAK1PKN1PAK4PAK2PAK3

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 PAK1 4/4885PKN1 326/4885PAK4 5/4885
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 PAK1 2/4885PKN1 182/4885PAK4 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.