SCHEMBL14681982

SCHEMBL14681982

CC(=O)N1CCC(c2cc(Cl)c(-c3cc4cnc(Nc5ccc(NC6CCCN(C)C6)cc5)nc4n(CCN4CCOCC4)c3=O)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 2/20 0.47
▸ JAK3 P52333 5/20 0.45
▸ FGFR1 P11362 10/20 0.45
▸ PDGFRB P09619 2/20 0.45
▸ SRC P12931 2/20 0.45
▸ PDGFRA P16234 2/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ PKMYT1 Q99640 1/20 0.45
▸ FGFR2 P21802 7/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ PAK4 O96013 1/20 0.42
▸ PKN1 Q16512 1/20 0.42
▸ TNK2 Q07912 1/20 0.42

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
SCHEMBL13553637 0.91 WEE1 (0.54) WEE1JAK3FGFR1PDGFRBSRC
SCHEMBL15787829 0.77 PKN1 (0.56) WEE1JAK3FGFR1PDGFRBSRC
SCHEMBL15036006 0.76 TNK2 (0.38) WEE1JAK3FGFR1PDGFRBSRC
SCHEMBL15787977 0.76 TNK2 (0.42) JAK3PAK4PKN1TNK2
SCHEMBL14682082 0.75 JAK3 (0.47) JAK3FGFR1SRCPAK4PKN1
SCHEMBL15041278 0.74 JAK3 (0.44) WEE1JAK3PAK4PKN1TNK2
SCHEMBL15785220 0.74 PAK4 (0.51) WEE1JAK3PAK4PKN1TNK2
SCHEMBL15787978 0.73 JAK3 (0.50) JAK3SRCPAK4PKN1TNK2
SCHEMBL15035128 0.72 PAK4 (0.45) WEE1JAK3PAK4PKN1TNK2
SCHEMBL13553903 0.72 TNK2 (0.44) JAK3SRCPAK4PKN1TNK2

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 WEE1 850/4885JAK3 783/4885FGFR1 2256/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885JAK3 1901/4885FGFR1 1919/4885

“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.

Send feedback