SCHEMBL14682116

SCHEMBL14682116

C=C(C)N1CCCC1c1cc(Cl)c(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(Cc3nccs3)c2=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 0.41
FGFR1 P11362 7/20 0.40
EGFR P00533 2/20 0.40
SRC P12931 5/20 0.38
PDGFRB P09619 4/20 0.38
PDGFRA P16234 4/20 0.38
ABL1 P00519 3/20 0.38
MAPK14 Q16539 3/20 0.38
KIT P10721 1/20 0.38
RIPK2 O43353 1/20 0.37
ACVR1 Q04771 1/20 0.37
NOD2 Q9HC29 1/20 0.37
PAK4 O96013 2/20 0.37
PAK1 Q13153 2/20 0.37
PKN1 Q16512 2/20 0.37
PAK3 O75914 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
PAK2 Q13177 1/20 0.37
TNK2 Q07912 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
SCHEMBL15041264 0.95 WEE1 (0.41) WEE1FGFR1EGFRSRCPDGFRB
SCHEMBL13553910 0.91 WEE1 (0.42) WEE1FGFR1EGFRSRCPDGFRB
SCHEMBL13553644 0.75 PAK1 (0.43) WEE1SRCPAK4PAK1PKN1
SCHEMBL15787960 0.73 PKN1 (0.51) WEE1FGFR1SRCPAK4PAK1
SCHEMBL15036131 0.73 TNK2 (0.37) WEE1FGFR1EGFRSRCRIPK2
SCHEMBL14693025 0.73 TNK2 (0.38) PAK4PAK1PKN1TNK2
SCHEMBL15035111 0.72 PKN1 (0.52) WEE1FGFR1EGFRSRCPDGFRB
SCHEMBL15041706 0.71 PAK3 (0.37) WEE1FGFR1EGFRSRCRIPK2
SCHEMBL14682049 0.71 TNK2 (0.38) TNK2
SCHEMBL14693012 0.71 PRKCI (0.38) FGFR1SRCPDGFRBPDGFRAABL1

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 3 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-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 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 WEE1 850/4885FGFR1 2256/4885EGFR 2012/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885FGFR1 1919/4885EGFR 737/4885

“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.