SCHEMBL15036249

SCHEMBL15036249

Cc1ccc(C#Cc2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(Cc3scnc3CC(F)(F)F)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.41
JAK3 P52333 2/20 0.37
PKN1 Q16512 2/20 0.36
PAK4 O96013 1/20 0.36
TNK2 Q07912 5/20 0.36
CCND1 P24385 2/20 0.36
CDK6 Q00534 2/20 0.36
PIK3CD O00329 1/20 0.36
PRKAB2 O43741 1/20 0.36
NUAK1 O60285 1/20 0.36
CCNT1 O60563 1/20 0.36
ABL1 P00519 1/20 0.36
FYN P06241 1/20 0.36
CDK1 P06493 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 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
SCHEMBL15617448 0.92 PKN1 (0.39) PTK2JAK3PKN1PAK4TNK2
SCHEMBL15036299 0.79 TNK2 (0.41) PTK2JAK3PKN1PAK4TNK2
SCHEMBL15036174 0.79 PKN1 (0.40) PTK2JAK3PKN1PAK4TNK2
SCHEMBL15041735 0.79 CDK4 (0.39) PTK2JAK3PKN1PAK4TNK2
SCHEMBL15036449 0.76 CDK4 (0.36) PTK2JAK3PKN1PAK4TNK2
SCHEMBL15036221 0.75 FGFR1 (0.48) PTK2JAK3CCND1CDK6PIK3CD
SCHEMBL15036182 0.74 JAK3 (0.46) PTK2JAK3PKN1PAK4CCND1
SCHEMBL15041730 0.74 PKN1 (0.40) PTK2JAK3PKN1PAK4CCND1
SCHEMBL15036376 0.72 CDK4 (0.40) PTK2JAK3PKN1PAK4TNK2
SCHEMBL15036283 0.72 PTK2 (0.45) PTK2JAK3PKN1PAK4TNK2

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 PTK2 80/4885JAK3 360/4885PKN1 425/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885JAK3 1901/4885PKN1 326/4885

“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.