SCHEMBL15035995

SCHEMBL15035995

O=c1c(-c2ccc(S(=O)(=O)C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1CC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 5/20 0.42
FLT3 P36888 4/20 0.40
PTK2 Q05397 2/20 0.39
PAK1 Q13153 2/20 0.39
CDK2 P24941 4/20 0.39
KDR P35968 4/20 0.39
CDK1 P06493 3/20 0.39
SRC P12931 1/20 0.38
CDK4 P11802 2/20 0.38
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
SIK2 Q9H0K1 1/20 0.36
STK26 Q9P289 1/20 0.36
STK24 Q9Y6E0 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
PAK3 O75914 1/20 0.36
PAK4 O96013 1/20 0.36
LIMK1 P53667 1/20 0.36

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
SCHEMBL16309174 0.90 PAK1 (0.43) TNK2PAK1CDK2SRCCDK4
SCHEMBL15041890 0.88 TNK2 (0.40) TNK2FLT3PAK1CDK2KDR
SCHEMBL15036149 0.87 TNK2 (0.41) TNK2FLT3PAK1CDK2KDR
SCHEMBL15785331 0.86 TNK2 (0.46) TNK2FLT3PTK2PAK1SRC
SCHEMBL15041669 0.85 PTK2 (0.43) TNK2PTK2
SCHEMBL15036037 0.84 TNK2 (0.41) TNK2PTK2
SCHEMBL13553812 0.82 TNK2 (0.43) TNK2FLT3PTK2PAK1SRC
SCHEMBL15036132 0.81 TNK2 (0.41) TNK2SRCCDK4CCND1CCND2
SCHEMBL16309202 0.79 PAK1 (0.45) TNK2PAK1CDK2SRCCDK4
SCHEMBL15036084 0.78 TNK2 (0.43) TNK2SRCCDK4CCND1CCND2

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-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 TNK2 14/4885FLT3 803/4885PTK2 137/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885FLT3 811/4885PTK2 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.