SCHEMBL15036044

SCHEMBL15036044

Cc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(Cl)c4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)ncn1S(=O)(=O)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 2/20 0.45
PAK1 Q13153 2/20 0.45
PAK2 Q13177 2/20 0.45
PKN1 Q16512 2/20 0.45
PAK4 O96013 1/20 0.45
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
TNK2 Q07912 13/20 0.43
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
WEE1 P30291 3/20 0.38
SRC P12931 1/20 0.37
EGFR P00533 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
SCHEMBL15041663 0.93 PAK3 (0.45) PAK3PAK1PAK2PKN1PAK4
SCHEMBL16309181 0.93 PAK3 (0.46) PAK3PAK1PAK2PKN1PAK4
SCHEMBL15036082 0.86 PAK3 (0.51) PAK3PAK1PAK2PKN1PAK4
SCHEMBL13553706 0.79 PAK3 (0.48) PAK3PAK1PAK2PKN1PAK4
SCHEMBL16309190 0.78 PAK3 (0.53) PAK3PAK1PAK2PKN1PAK4
SCHEMBL15281579 0.77 PAK3 (0.59) PAK3PAK1PAK2PKN1PAK4
SCHEMBL15041690 0.76 PAK1 (0.52) PAK3PAK1PAK2PKN1PAK4
SCHEMBL15785287 0.75 PAK3 (0.47) PAK3PAK1PAK2PKN1PAK4
SCHEMBL15036034 0.75 TNK2 (0.55) PAK3PAK1PAK2PKN1PAK4
SCHEMBL15281134 0.75 WEE1 (0.49) PAK3PAK1PAK2PKN1PAK4

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 PAK3 3/4885PAK1 6/4885PAK2 1/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK3 6/4885PAK1 4/4885PAK2 2/4885

“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.