SCHEMBL15036026

SCHEMBL15036026

CN1CCSC(c2ccc(Nc3ncc4cc(-c5ccc(S(=O)(=O)CC(C)(F)F)cc5C(F)(F)F)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.44
WEE1 P30291 2/20 0.39
MAP4K3 Q8IVH8 1/20 0.37
MAP4K1 Q92918 1/20 0.37
PKN1 Q16512 3/20 0.36
PAK1 Q13153 3/20 0.36
PAK4 O96013 2/20 0.36
PAK3 O75914 2/20 0.36
PAK2 Q13177 2/20 0.36
PTK2 Q05397 2/20 0.35
RIPK2 O43353 2/20 0.35
NOD2 Q9HC29 2/20 0.35
ACVR1 Q04771 1/20 0.35
FGFR1 P11362 2/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL15041507 0.96 TNK2 (0.44) TNK2WEE1MAP4K3MAP4K1PKN1
SCHEMBL16310842 0.90 TNK2 (0.41) TNK2WEE1MAP4K3MAP4K1PKN1
SCHEMBL16309178 0.83 TNK2 (0.43) TNK2WEE1PKN1PAK1PAK4
SCHEMBL15036098 0.81 TNK2 (0.47) TNK2WEE1PKN1PAK1PAK4
SCHEMBL14681996 0.79 TNK2 (0.43) TNK2WEE1MAP4K3MAP4K1PKN1
SCHEMBL15036068 0.73 RIPK2 (0.40) TNK2WEE1PKN1PAK1PAK4
SCHEMBL15036076 0.73 TNK2 (0.47) TNK2MAP4K1PKN1PAK4PTK2
SCHEMBL15036149 0.73 TNK2 (0.41) TNK2WEE1PKN1PAK1PAK4
SCHEMBL15036112 0.73 PTK2 (0.48) TNK2PTK2
SCHEMBL15041674 0.73 PAK1 (0.61) TNK2WEE1PKN1PAK1PAK4

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 14/4885WEE1 1354/4885MAP4K3 29/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885WEE1 545/4885MAP4K3 100/4885

“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.