SCHEMBL15036252

SCHEMBL15036252

COCCc1ncncc1Cn1c(=O)c(C#CC(=O)N(C)C)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.45
CSF1R P07333 5/20 0.41
BTK Q06187 1/20 0.37
JAK2 O60674 2/20 0.36
BRD4 O60885 2/20 0.36
JAK1 P23458 1/20 0.36
BRD2 P25440 1/20 0.36
JAK3 P52333 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
FGFR1 P11362 3/20 0.36
FGFR4 P22455 3/20 0.36
KDR P35968 2/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CCNA2 P20248 2/20 0.36
FGFR2 P21802 2/20 0.36
FGFR3 P22607 2/20 0.36
CDK2 P24941 2/20 0.36
FLT4 P35916 2/20 0.36

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
SCHEMBL15258233 0.83 PTK2 (0.45) PTK2CSF1RBTKJAK2BRD4
SCHEMBL15036458 0.80 PTK2 (0.42) PTK2CSF1RBTKJAK2BRD4
SCHEMBL15036173 0.78 CDK4 (0.45) PTK2CSF1RBTKJAK2BRD4
SCHEMBL15036304 0.75 JAK3 (0.39) PTK2CSF1RJAK3FGFR1CDK4
SCHEMBL15036453 0.75 PTK2 (0.39) PTK2CSF1RJAK3FGFR1FGFR4
SCHEMBL15036203 0.74 BTK (0.51) PTK2BTKJAK2BRD4JAK1
SCHEMBL15036289 0.73 BTK (0.42) PTK2CSF1RBTKJAK2BRD4
SCHEMBL15258276 0.73 CDK4 (0.35) FGFR1FGFR4CDK4CCND1CCNA2
SCHEMBL15041563 0.72 PTK2 (0.49) PTK2BTKJAK2BRD4JAK1
SCHEMBL15036206 0.72 BTK (0.50) PTK2CSF1RBTKJAK2BRD4

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-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-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 PTK2 80/4885CSF1R 1326/4885BTK 548/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885CSF1R 2091/4885BTK 935/4885

“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.