SCHEMBL15035728

SCHEMBL15035728

CC1=C(c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(Cc3ncsc3[S+]([O-])c3nccs3)c2=O)CCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 2/20 0.34
PAK4 O96013 1/20 0.34
PTK2 Q05397 2/20 0.33
TNK2 Q07912 6/20 0.32
FGFR1 P11362 2/20 0.32
CDK4 P11802 2/20 0.32
CCNA2 P20248 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 2/20 0.32
FGFR3 P22607 2/20 0.32
CCND1 P24385 2/20 0.32
CDK2 P24941 2/20 0.32
PAK3 O75914 2/20 0.32
PAK1 Q13153 2/20 0.32
PAK2 Q13177 2/20 0.32
WEE1 P30291 1/20 0.31

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
SCHEMBL15035652 0.80 EGFR (0.36) PKN1PAK4PTK2TNK2FGFR1
SCHEMBL15034893 0.80 PAK4 (0.38) PKN1PAK4TNK2FGFR1CDK4
SCHEMBL15035902 0.77 JAK2 (0.37) PKN1PAK4PTK2TNK2FGFR1
SCHEMBL15034973 0.76 PAK4 (0.39) PKN1PAK4TNK2FGFR1CDK4
SCHEMBL15035891 0.76 TNK2 (0.35) TNK2FGFR1CDK4CCNA2FGFR2
SCHEMBL15034783 0.76 PAK4 (0.39) PKN1PAK4PTK2FGFR1CDK4
SCHEMBL15035871 0.73 CSF1R (0.35) PKN1PAK4PTK2FGFR1CDK4
SCHEMBL15035852 0.73 TNK2 (0.36) TNK2FGFR1CDK4CCND1
SCHEMBL15041884 0.73 TNK2 (0.36) PKN1PAK4PTK2TNK2FGFR1
SCHEMBL15034912 0.72 RIPK2 (0.36) TNK2FGFR1CDK4CCNA2FGFR2

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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 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

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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 PKN1 430/4885PAK4 5/4885PTK2 166/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PKN1 326/4885PAK4 5/4885PTK2 12/4885

“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.