SCHEMBL15036037

SCHEMBL15036037

O=c1c(-c2ccc(S(=O)(=O)C3CCCCC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1CC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.41
PTK2 Q05397 1/20 0.41

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
SCHEMBL15041669 0.97 PTK2 (0.43) TNK2PTK2
SCHEMBL15036112 0.87 PTK2 (0.48) TNK2PTK2
SCHEMBL15035995 0.84 TNK2 (0.42) TNK2PTK2
SCHEMBL14684876 0.79 PAK4 (0.48) PTK2
SCHEMBL13553812 0.77 TNK2 (0.43) TNK2PTK2
SCHEMBL15281633 0.77 PTK2 (0.46) PTK2
SCHEMBL15036010 0.75 TNK2 (0.44) TNK2
SCHEMBL15036098 0.75 TNK2 (0.47) TNK2PTK2
SCHEMBL16309174 0.74 PAK1 (0.43) TNK2
SCHEMBL15787928 0.74 TNK2 (0.42) TNK2

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

“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.