SCHEMBL15036060

SCHEMBL15036060

Cc1nn(S(=O)(=O)C2CCOCC2)c(C)c1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(Cc2ccccc2C(F)(F)F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 18/20 0.48
PAK3 O75914 1/20 0.42
PAK4 O96013 1/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
PAK1 Q13153 1/20 0.42
PAK2 Q13177 1/20 0.42
PKN1 Q16512 1/20 0.42
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL16309183 0.96 TNK2 (0.48) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15036138 0.87 TNK2 (0.48) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15036015 0.80 PTK2 (0.48) TNK2PAK4PKN1
SCHEMBL13553749 0.79 TNK2 (0.53) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL16310846 0.77 WEE1 (0.40) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15036082 0.77 PAK3 (0.51) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15036034 0.76 TNK2 (0.55) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15785302 0.76 TNK2 (0.51) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL10192792 0.75 CDK4 (0.51) CDK4CCND1CCND2CCND3
SCHEMBL15036388 0.75 TNK2 (0.42) TNK2PAK3PAK4LIMK1LIMK2

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 5 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-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 14/4885PAK3 3/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885PAK3 6/4885PAK4 5/4885

“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.