SCHEMBL15041856

SCHEMBL15041856

CN(C)CCn1c(=O)c(-c2cccc(S(=O)(=O)c3cncs3)c2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 6/20 0.41
ACVR1 Q04771 5/20 0.41
NOD2 Q9HC29 5/20 0.41
TNK2 Q07912 5/20 0.40
PAK3 O75914 2/20 0.40
PAK1 Q13153 2/20 0.40
PAK2 Q13177 2/20 0.40
PKN1 Q16512 2/20 0.40
SRC P12931 2/20 0.38
PAK4 O96013 1/20 0.38
WEE1 P30291 1/20 0.37
FGFR1 P11362 1/20 0.36

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
SCHEMBL15036008 0.93 TNK2 (0.42) RIPK2ACVR1NOD2TNK2PAK3
SCHEMBL15036088 0.79 RIPK2 (0.44) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15785297 0.78 TNK2 (0.43) RIPK2ACVR1NOD2TNK2PKN1
SCHEMBL13553645 0.74 PAK4 (0.47) TNK2PAK1PKN1SRCPAK4
SCHEMBL14681985 0.74 PKN1 (0.47) TNK2PAK3PAK1PAK2PKN1
SCHEMBL15041693 0.74 PAK1 (0.40) RIPK2ACVR1NOD2TNK2PAK3
SCHEMBL15041891 0.73 PKN1 (0.56) RIPK2NOD2TNK2PAK3PAK1
SCHEMBL15041662 0.72 PKN1 (0.43) RIPK2ACVR1NOD2TNK2PAK3
SCHEMBL15036055 0.72 RIPK2 (0.46) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15281605 0.70 PKN1 (0.53) RIPK2ACVR1NOD2TNK2PAK3

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-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 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 (1 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 RIPK2 971/4885ACVR1 4752/4885NOD2 4628/4885

“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.