SCHEMBL15035828

SCHEMBL15035828

C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(Cc2nccnc2[S+]([O-])CCN(C)C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.36
TNK2 Q07912 6/20 0.34
SRC P12931 2/20 0.34
PAK4 O96013 1/20 0.33
PKN1 Q16512 1/20 0.33
RIPK2 O43353 1/20 0.33
ACVR1 Q04771 1/20 0.33
NOD2 Q9HC29 1/20 0.33

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
SCHEMBL15041644 0.94 JAK3 (0.36) JAK3TNK2SRCPAK4PKN1
SCHEMBL15034843 0.82 TNK2 (0.36) JAK3TNK2SRCPAK4PKN1
SCHEMBL15035057 0.80 TNK2 (0.35) JAK3TNK2SRCPAK4PKN1
SCHEMBL15034954 0.77 TNK2 (0.36) JAK3TNK2SRCPAK4PKN1
SCHEMBL15041406 0.76 TNK2 (0.36) JAK3TNK2SRCPAK4PKN1
SCHEMBL15277172 0.75 JAK3 (0.35) JAK3TNK2SRCPAK4PKN1
SCHEMBL15041392 0.74 TNK2 (0.36) JAK3TNK2SRCPAK4PKN1
SCHEMBL15277139 0.74 JAK2 (0.37) JAK3
SCHEMBL15035711 0.73 PTK2 (0.36) JAK3TNK2SRCPAK4PKN1
SCHEMBL15035470 0.72 PAK4 (0.36) JAK3TNK2SRCPAK4PKN1

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 JAK3 525/4885TNK2 28/4885SRC 361/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885TNK2 7/4885SRC 26/4885

“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.