SCHEMBL15041885

SCHEMBL15041885

CN1CCCC(Nc2ccc(Nc3ncc4cc(-c5ccc(S(=O)(=O)c6ccccc6)cc5F)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.42
WEE1 P30291 2/20 0.40
RIPK2 O43353 4/20 0.38
NOD2 Q9HC29 4/20 0.38
ACVR1 Q04771 3/20 0.38
PAK4 O96013 1/20 0.37
PAK1 Q13153 1/20 0.37
PKN1 Q16512 1/20 0.37
FGFR1 P11362 2/20 0.37
EGFR P00533 1/20 0.37
FGFR2 P21802 1/20 0.37

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
SCHEMBL15036122 0.80 RIPK2 (0.47) TNK2RIPK2NOD2ACVR1FGFR1
SCHEMBL15041869 0.80 CDK2 (0.42) TNK2RIPK2NOD2ACVR1PAK4
SCHEMBL13553837 0.76 TNK2 (0.38) TNK2WEE1PAK4PKN1
SCHEMBL15041707 0.76 RIPK2 (0.43) TNK2WEE1RIPK2NOD2ACVR1
SCHEMBL14682124 0.76 CCNT1 (0.40) TNK2RIPK2NOD2ACVR1PAK4
SCHEMBL15041652 0.76 TNK2 (0.43) TNK2WEE1RIPK2NOD2ACVR1
SCHEMBL15036041 0.74 PKN1 (0.46) TNK2WEE1RIPK2NOD2ACVR1
SCHEMBL15281053 0.74 RIPK2 (0.46) TNK2RIPK2NOD2ACVR1FGFR1
SCHEMBL15036051 0.74 CDK7 (0.48) TNK2WEE1RIPK2NOD2ACVR1
SCHEMBL15041894 0.73 RIPK2 (0.41) RIPK2NOD2ACVR1

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 3 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-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 14/4885WEE1 1354/4885RIPK2 870/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885WEE1 545/4885RIPK2 971/4885

“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.