SCHEMBL15041548

SCHEMBL15041548

CC#Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(Cc2ncccc2C(F)(F)F)c1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.51
JAK2 O60674 2/20 0.44
BRD4 O60885 2/20 0.44
JAK1 P23458 1/20 0.44
BRD2 P25440 1/20 0.44
JAK3 P52333 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
FLT4 P35916 5/20 0.44
BTK Q06187 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL15041541 0.92 PTK2 (0.53) PTK2
SCHEMBL15041563 0.91 PTK2 (0.49) PTK2JAK2BRD4JAK1BRD2
SCHEMBL15036206 0.90 BTK (0.50) PTK2JAK2BRD4JAK1BRD2
SCHEMBL15041540 0.87 PTK2 (0.49) PTK2
SCHEMBL15041544 0.85 CDK4 (0.39) PTK2JAK3
SCHEMBL15617432 0.85 JAK2 (0.44) PTK2JAK2BRD4JAK1BRD2
SCHEMBL15259472 0.84 PAK3 (0.52) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15041892 0.83 WEE1 (0.50) PTK2BRD4
SCHEMBL15041550 0.83 PTK2 (0.51) PTK2FLT4KDR
SCHEMBL15036203 0.83 BTK (0.51) PTK2JAK2BRD4JAK1BRD2

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
WO-2011156786-A2 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 WO 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 PTK2 80/4885JAK2 224/4885BRD4 614/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885JAK2 720/4885BRD4 1003/4885

“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.