SCHEMBL15036002

SCHEMBL15036002

Cc1c(-c2cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)cccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 7/20 0.42
WEE1 P30291 1/20 0.40
PTK2 Q05397 1/20 0.36
SRC P12931 1/20 0.36
PLK2 Q9NYY3 1/20 0.36
CDK4 P11802 2/20 0.35
SYK P43405 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
RIPK2 O43353 2/20 0.35
ACVR1 Q04771 2/20 0.35
NOD2 Q9HC29 2/20 0.35
CHEK1 O14757 2/20 0.35
FLT3 P36888 2/20 0.35
CCND1 P24385 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL15041656 0.96 TNK2 (0.41) TNK2WEE1PTK2SRCCDK4
SCHEMBL16309176 0.93 TNK2 (0.40) TNK2WEE1SRCPLK2CDK4
SCHEMBL10192630 0.82 CDK4 (0.47) PTK2SRCCDK4FGFR1CCND1
SCHEMBL13553639 0.82 TNK2 (0.42) TNK2WEE1PTK2SRCCDK4
SCHEMBL15036080 0.81 CDK4 (0.41) TNK2SRCCDK4CCND1
SCHEMBL15041503 0.79 TNK2 (0.43) TNK2SRC
SCHEMBL15036092 0.78 BRD4 (0.48) TNK2WEE1PTK2CDK4EGFR
SCHEMBL10246428 0.76 WEE1 (0.44) TNK2WEE1PTK2RIPK2ACVR1
SCHEMBL15036139 0.76 TNK2 (0.44) TNK2WEE1SRCBRD4
SCHEMBL14866053 0.76 WEE1 (0.43) TNK2WEE1PTK2CDK4EGFR

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 14/4885WEE1 1354/4885PTK2 137/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885WEE1 545/4885PTK2 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.