SCHEMBL15041893

SCHEMBL15041893

Cc1scnc1C#Cc1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2ccoc2C(F)(F)F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.37
CDK4 P11802 9/20 0.35
CCND1 P24385 9/20 0.35
CCNA2 P20248 7/20 0.35
CDK2 P24941 7/20 0.35
FGFR1 P11362 6/20 0.35
FGFR2 P21802 6/20 0.35
FGFR4 P22455 6/20 0.35
FGFR3 P22607 6/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
JAK2 O60674 2/20 0.34
BRD4 O60885 2/20 0.34
CHEK1 O14757 3/20 0.33
BTK Q06187 1/20 0.33
MAPK8 P45983 1/20 0.33
CCND2 P30279 2/20 0.33
CCND3 P30281 2/20 0.33
TNK2 Q07912 1/20 0.32

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
SCHEMBL15618063 0.93 FLT3 (0.40) FLT3CDK4CCND1CCNA2CDK2
SCHEMBL15036313 0.87 FLT3 (0.35) FLT3CDK4CCND1CCNA2CDK2
SCHEMBL15618052 0.82 CHEK1 (0.34) FLT3CDK4CCND1CCNA2CDK2
SCHEMBL15036447 0.79 CDK4 (0.39) FLT3CDK4CCND1CCNA2CDK2
SCHEMBL15041727 0.77 BTK (0.35) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15259461 0.77 PTK2 (0.37) FLT3CDK4CCND1CCNA2CDK2
SCHEMBL15041900 0.76 CDK4 (0.36) FLT3CDK4CCND1CCNA2CDK2
SCHEMBL15041895 0.75 FGFR1 (0.36) FLT3CDK4CCND1CCNA2CDK2
SCHEMBL15258276 0.75 CDK4 (0.35) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036480 0.75 AXL (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 FLT3 661/4885CDK4 397/4885CCND1 3936/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 FLT3 811/4885CDK4 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.