SCHEMBL15036076

SCHEMBL15036076

CN1CCC(S(=O)(=O)c2ccccc2-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.47
PTK2 Q05397 7/20 0.46
JAK2 O60674 5/20 0.45
BRD4 O60885 5/20 0.45
JAK1 P23458 1/20 0.45
BRD2 P25440 1/20 0.45
JAK3 P52333 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
MAP4K1 Q92918 1/20 0.45
FLT4 P35916 5/20 0.45
KDR P35968 1/20 0.44
PAK4 O96013 1/20 0.44
PKN1 Q16512 1/20 0.44

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
SCHEMBL16309187 0.91 PAK4 (0.47) TNK2JAK2BRD4JAK1BRD2
SCHEMBL15041563 0.81 PTK2 (0.49) PTK2JAK2BRD4JAK1BRD2
SCHEMBL15036124 0.79 TNK2 (0.47) TNK2MAP4K1
SCHEMBL15035602 0.79 JAK2 (0.48) TNK2PTK2JAK2BRD4JAK1
SCHEMBL13553800 0.79 PTK2 (0.46) TNK2PTK2JAK2BRD4JAK1
SCHEMBL15036092 0.77 BRD4 (0.48) TNK2PTK2JAK2BRD4JAK1
SCHEMBL13553749 0.77 TNK2 (0.53) TNK2BRD4PAK4PKN1
SCHEMBL15036112 0.76 PTK2 (0.48) TNK2PTK2
SCHEMBL15036034 0.76 TNK2 (0.55) TNK2JAK2BRD4PAK4PKN1
SCHEMBL15785231 0.75 TNK2 (0.46) TNK2PTK2JAK2BRD4MAP4K1

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-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-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
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 14/4885PTK2 137/4885JAK2 288/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885PTK2 12/4885JAK2 720/4885

“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.