SCHEMBL15041775

SCHEMBL15041775

CCn1c(=O)c(-c2cnc(C3CCOCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.62
PAK1 Q13153 3/20 0.61
PKN1 Q16512 3/20 0.61
PAK4 O96013 2/20 0.61
PAK3 O75914 2/20 0.59
PAK2 Q13177 2/20 0.59
CDK4 P11802 6/20 0.56
CCND1 P24385 6/20 0.56
CCND2 P30279 5/20 0.56
CCND3 P30281 5/20 0.56
FGFR1 P11362 3/20 0.49
SRC P12931 2/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
TNK2 Q07912 7/20 0.48
PDGFRB P09619 2/20 0.48
PIK3CD O00329 1/20 0.48
PRKAB2 O43741 1/20 0.48
NUAK1 O60285 1/20 0.48

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
SCHEMBL13553505 0.95 WEE1 (0.66) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553468 0.93 WEE1 (0.63) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15041214 0.92 WEE1 (0.61) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15041459 0.91 WEE1 (0.64) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15787967 0.88 WEE1 (0.61) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553573 0.86 WEE1 (0.68) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553565 0.85 WEE1 (0.66) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15787964 0.84 PAK1 (0.76) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553567 0.84 WEE1 (0.59) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553502 0.84 PKN1 (0.57) WEE1PAK1PKN1PAK4PAK3

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 2 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885PAK1 4/4885PKN1 326/4885
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 WEE1 368/4885PAK1 2/4885PKN1 182/4885

“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.