SCHEMBL15036071

SCHEMBL15036071

Cc1c(-c2cc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3n(-c3ccccc3)c2=O)cccc1S(=O)(=O)CC(C)(F)F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.52
JAK2 O60674 4/20 0.52
PAK4 O96013 1/20 0.46
PKN1 Q16512 1/20 0.46
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCND2 P30279 1/20 0.44
CCND3 P30281 1/20 0.44
MAP4K1 Q92918 5/20 0.43
WEE1 P30291 3/20 0.43
PLK1 P53350 2/20 0.43
TNK2 Q07912 4/20 0.43
JAK1 P23458 1/20 0.42
BRD2 P25440 1/20 0.42
JAK3 P52333 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
KCNH2 Q12809 1/20 0.42
SRC P12931 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
SCHEMBL15041453 0.96 BRD4 (0.52) BRD4JAK2PAK4PKN1CDK4
SCHEMBL16309186 0.92 BRD4 (0.53) BRD4JAK2PAK4PKN1CDK4
SCHEMBL15036115 0.78 JAK2 (0.45) BRD4JAK2CDK4CCND1CCND2
SCHEMBL15036029 0.78 BRD4 (0.42) BRD4JAK2PAK4PKN1CDK4
SCHEMBL13553909 0.77 PKN1 (0.56) BRD4JAK2PAK4PKN1CDK4
SCHEMBL15035998 0.77 PAK4 (0.48) BRD4JAK2PAK4PKN1WEE1
SCHEMBL15036135 0.76 WEE1 (0.43) BRD4JAK2PAK4PKN1CDK4
SCHEMBL16309199 0.76 BRD4 (0.44) BRD4JAK2PAK4PKN1CDK4
SCHEMBL15036151 0.75 PAK4 (0.50) BRD4JAK2PAK4PKN1TNK2
SCHEMBL15041776 0.75 MAP4K1 (0.46) BRD4JAK2PAK4PKN1CDK4

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 BRD4 489/4885JAK2 288/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 BRD4 1003/4885JAK2 720/4885PAK4 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.