SCHEMBL15036029

SCHEMBL15036029

Cc1c(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(-c3ccccc3)c2=O)cccc1S(=O)(=O)C1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.42
JAK2 O60674 11/20 0.42
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
JAK1 P23458 4/20 0.40
BRD2 P25440 4/20 0.40
JAK3 P52333 4/20 0.40
BRD3 Q15059 4/20 0.40
BRDT Q58F21 4/20 0.40
SRC P12931 3/20 0.38
WEE1 P30291 1/20 0.38
TNK2 Q07912 2/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FGFR3 P22607 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 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
SCHEMBL16309186 0.81 BRD4 (0.53) BRD4JAK2CDK4CCND1CCND2
SCHEMBL15036071 0.78 BRD4 (0.52) BRD4JAK2CDK4CCND1CCND2
SCHEMBL15041453 0.78 BRD4 (0.52) BRD4JAK2CDK4CCND1CCND2
SCHEMBL15036115 0.76 JAK2 (0.45) BRD4JAK2CDK4CCND1CCND2
SCHEMBL13553679 0.76 CDK4 (0.38) CDK4CCND1CCND2CCND3SRC
SCHEMBL15258231 0.76 CDK4 (0.42) BRD4JAK2CDK4CCND1CCND2
SCHEMBL15041265 0.75 SYK (0.38) CDK4CCND1CCND2CCND3SRC
SCHEMBL15036104 0.74 TNK2 (0.41) SRCTNK2
SCHEMBL15036151 0.72 PAK4 (0.50) BRD4JAK2JAK3SRCTNK2
SCHEMBL16309187 0.72 PAK4 (0.47) BRD4JAK2JAK1BRD2JAK3

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 BRD4 489/4885JAK2 288/4885CDK4 471/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 BRD4 1003/4885JAK2 720/4885CDK4 404/4885

“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.