SCHEMBL15035822

SCHEMBL15035822

CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2c(F)cccc2[S+]([O-])C2CCCC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
FGFR1 P11362 3/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
MAPK8 P45983 6/20 0.39
MAPK14 Q16539 3/20 0.39
WEE1 P30291 1/20 0.39
TNK2 Q07912 2/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
MAP4K1 Q92918 1/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
PIK3CD O00329 1/20 0.37
PRKAB2 O43741 1/20 0.37
NUAK1 O60285 1/20 0.37
CCNT1 O60563 1/20 0.37
ABL1 P00519 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
SCHEMBL15277137 0.79 BRD4 (0.45) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15035677 0.78 CDK4 (0.50) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15035700 0.76 WEE1 (0.41) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15034837 0.75 CDK4 (0.41) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15035803 0.75 RIPK2 (0.39) CDK4CCND1WEE1TNK2ADORA2A
SCHEMBL15035052 0.75 TNK2 (0.41) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15034945 0.74 TNK2 (0.39) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15035910 0.71 PAK1 (0.38) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15035364 0.71 CDK4 (0.46) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15035465 0.71 CDK4 (0.44) CDK4CCND1FGFR1FGFR2FGFR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252967-A1 8-(SULFONYLBENZYL)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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 CDK4 441/4885CCND1 4422/4885FGFR1 2209/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885FGFR1 1919/4885

“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.