SCHEMBL15036309

SCHEMBL15036309

CC#Cc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2ncoc2CC(F)(F)F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.36
CDK4 P11802 11/20 0.35
CCND1 P24385 11/20 0.35
CCNA2 P20248 9/20 0.35
CDK2 P24941 9/20 0.35
FGFR1 P11362 8/20 0.35
FGFR2 P21802 8/20 0.35
FGFR4 P22455 8/20 0.35
FGFR3 P22607 8/20 0.35
FLT3 P36888 2/20 0.35
CCND2 P30279 2/20 0.35
CCND3 P30281 2/20 0.35
CCNA1 P78396 1/20 0.35
RIPK2 O43353 1/20 0.34
ACVR1 Q04771 1/20 0.34
NOD2 Q9HC29 1/20 0.34
WEE1 P30291 1/20 0.34
PLK1 P53350 1/20 0.34
PTK2 Q05397 1/20 0.34
ABL1 P00519 1/20 0.33

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
SCHEMBL15617457 0.92 CDK4 (0.40) CAMK2DCDK4CCND1CCNA2CDK2
SCHEMBL15036371 0.82 TNK2 (0.38) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036285 0.80 RIPK2 (0.36) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036413 0.80 TNK2 (0.34) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036485 0.79 CDK4 (0.35) CAMK2DCDK4CCND1CCNA2CDK2
SCHEMBL15036339 0.77 KDM1A (0.36) CAMK2DCDK4CCND1CCNA2CDK2
SCHEMBL15041604 0.76 CDK4 (0.33) CAMK2DCDK4CCND1CCNA2CDK2
SCHEMBL15036421 0.76 CDK4 (0.32) CAMK2DCDK4CCND1CCNA2CDK2
SCHEMBL15041548 0.75 PTK2 (0.51) PTK2
SCHEMBL15036368 0.74 CDK4 (0.37) CDK4CCND1CCNA2CDK2FGFR1

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-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 US disclosed
US-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-19 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-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 CAMK2D 161/4885CDK4 397/4885CCND1 3936/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CAMK2D 469/4885CDK4 404/4885CCND1 2153/4885

“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.