SCHEMBL15041532

SCHEMBL15041532

CN1CCCC(Nc2ccc(Nc3ncc4cc(-c5ccc([S+]([O-])C6CC6)cc5)c(=O)n(CC(F)(F)F)c4n3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 9/20 0.43
PAK1 Q13153 3/20 0.40
PKN1 Q16512 3/20 0.40
PAK3 O75914 2/20 0.40
PAK2 Q13177 2/20 0.40
PAK4 O96013 2/20 0.39
WEE1 P30291 1/20 0.38
RIPK2 O43353 2/20 0.38
NOD2 Q9HC29 2/20 0.38
ACVR1 Q04771 1/20 0.38

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
SCHEMBL13553921 0.85 TNK2 (0.45) TNK2PAK1PKN1PAK3PAK2
SCHEMBL15041290 0.85 TNK2 (0.44) TNK2PAK1PKN1PAK3PAK2
SCHEMBL15041859 0.80 CAMK2D (0.44) TNK2PAK1PKN1PAK3PAK2
SCHEMBL13553495 0.76 PKN1 (0.51) TNK2PAK1PKN1PAK3PAK2
SCHEMBL15787989 0.75 TNK2 (0.44) TNK2PAK1PKN1PAK3PAK2
SCHEMBL15041685 0.74 WEE1 (0.43) TNK2PAK1PKN1PAK3PAK2
SCHEMBL15036070 0.74 PAK4 (0.40) TNK2PAK1PKN1PAK4
SCHEMBL13553609 0.73 TNK2 (0.39) TNK2PAK1PKN1PAK3PAK2
SCHEMBL15041849 0.73 TNK2 (0.40) TNK2PAK1PKN1PAK3PAK2
SCHEMBL16193901 0.73 PKN1 (0.61) TNK2PAK1PKN1PAK3PAK2

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 TNK2 14/4885PAK1 6/4885PKN1 534/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885PAK1 4/4885PKN1 326/4885

“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.