SCHEMBL15041339

SCHEMBL15041339

Cc1cc(Nc2ncc3cc(C(=O)C(C)C)c(=O)n(Cc4ncsc4[S+]([O-])c4ccccc4)c3n2)ccc1N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
TNK2 Q07912 13/20 0.40
PAK3 O75914 1/20 0.40
PAK4 O96013 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
PAK1 Q13153 1/20 0.40
PAK2 Q13177 1/20 0.40
PKN1 Q16512 1/20 0.40
FGFR1 P11362 2/20 0.39
CDK4 P11802 2/20 0.39
CCNA2 P20248 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 0.39
CCND1 P24385 2/20 0.39
CDK2 P24941 2/20 0.39
WEE1 P30291 2/20 0.39
SRC P12931 2/20 0.38
JAK3 P52333 1/20 0.37

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
SCHEMBL15035679 0.93 KCNH2 (0.40) KCNH2TNK2PAK3PAK4LIMK1
SCHEMBL15041424 0.79 PAK3 (0.40) KCNH2TNK2PAK3PAK4LIMK1
SCHEMBL15041416 0.78 CDK4 (0.43) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15041395 0.75 CDK4 (0.45) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15041832 0.75 PAK3 (0.40) KCNH2TNK2PAK3PAK4LIMK1
SCHEMBL15041253 0.74 FGFR1 (0.44) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15035701 0.73 PAK3 (0.46) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041557 0.73 CDK4 (0.44) KCNH2TNK2FGFR1CDK4CCNA2
SCHEMBL15035889 0.72 PAK3 (0.39) KCNH2TNK2PAK3PAK4LIMK1
SCHEMBL15041331 0.72 CDK4 (0.45) KCNH2TNK2PAK3PAK4LIMK1

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-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

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 KCNH2 2365/4885TNK2 28/4885PAK3 2/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 KCNH2 4768/4885TNK2 7/4885PAK3 6/4885

“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.