SCHEMBL15041454

SCHEMBL15041454

Cc1c(-c2cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc3n(CC3CCOCC3)c2=O)ncn1S(=O)(=O)CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.40
CDK6 Q00534 2/20 0.40
TNK2 Q07912 11/20 0.38
PAK1 Q13153 1/20 0.37
PIK3CA P42336 3/20 0.36
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
STK26 Q9P289 1/20 0.35
STK24 Q9Y6E0 1/20 0.35
PAK4 O96013 1/20 0.34
PKN1 Q16512 1/20 0.34

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
SCHEMBL13553828 0.76 TNK2 (0.43) CDK4CDK6TNK2PIK3CA
SCHEMBL15036003 0.76 PAK3 (0.52) CDK4CDK6TNK2PAK1PAK4
SCHEMBL14682072 0.76 TNK2 (0.39) CDK4CDK6TNK2PAK1PIK3CA
SCHEMBL15036053 0.75 FGFR4 (0.51) CDK4TNK2PAK1PAK4PKN1
SCHEMBL15036143 0.73 TNK2 (0.41) TNK2
SCHEMBL15036074 0.72 JAK3 (0.38) CDK6TNK2PAK1
SCHEMBL15035971 0.71 JAK2 (0.44) CDK4TNK2PAK4PKN1
SCHEMBL15787930 0.70 CDK4 (0.40) CDK4CDK6TNK2PAK1PAK4
SCHEMBL15785350 0.70 CDK4 (0.40) CDK4CDK6TNK2PAK1PAK4
SCHEMBL15041690 0.70 PAK1 (0.52) CDK4TNK2PAK1PAK4PKN1

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-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

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 CDK4 471/4885CDK6 272/4885TNK2 14/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CDK6 435/4885TNK2 7/4885

“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.