SCHEMBL15035892

SCHEMBL15035892

CN1CCCC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5nn(C)cc5S(=O)(=O)c5nccs5)c4n3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.38
JAK2 O60674 4/20 0.38
ACVR1 Q04771 1/20 0.38
JAK3 P52333 2/20 0.37
PTK2 Q05397 1/20 0.37
MAP4K1 Q92918 5/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
PAK4 O96013 1/20 0.35
PKN1 Q16512 1/20 0.35
FGFR1 P11362 2/20 0.35
CSF1R P07333 2/20 0.35
PIK3CD O00329 1/20 0.35
PRKAB2 O43741 1/20 0.35
NUAK1 O60285 1/20 0.35
CCNT1 O60563 1/20 0.35
ABL1 P00519 1/20 0.35
FYN P06241 1/20 0.35
CDK1 P06493 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 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
SCHEMBL15034927 0.79 PTK2 (0.41) BRD4JAK2ACVR1JAK3PTK2
SCHEMBL15035683 0.78 JAK3 (0.38) BRD4JAK2ACVR1JAK3PTK2
SCHEMBL15237035 0.77 PTK2 (0.40) BRD4JAK2JAK3PTK2PAK4
SCHEMBL15041593 0.76 JAK2 (0.39) BRD4JAK2ACVR1JAK3PTK2
SCHEMBL15035035 0.73 PTK2 (0.40) BRD4JAK2ACVR1JAK3PTK2
SCHEMBL15034822 0.71 PTK2 (0.40) BRD4JAK2ACVR1JAK3PTK2
SCHEMBL15036299 0.71 TNK2 (0.41) JAK3PTK2PAK4PKN1FGFR1
SCHEMBL13553931 0.71 PKN1 (0.43) ACVR1PAK4PKN1
SCHEMBL15041716 0.71 TNK2 (0.42) PAK4PKN1
SCHEMBL15035841 0.71 JAK2 (0.42) BRD4JAK2ACVR1JAK3PTK2

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 4 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-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
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 BRD4 711/4885JAK2 227/4885ACVR1 4860/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 BRD4 1003/4885JAK2 720/4885ACVR1 4752/4885

“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.