SCHEMBL15034801

SCHEMBL15034801

C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(Cc2ccn(C)c2-c2nccs2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.36
TNK2 Q07912 5/20 0.35
SRC P12931 2/20 0.35
EGFR P00533 3/20 0.35
ITK Q08881 1/20 0.34
FGFR1 P11362 1/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
AXL P30530 1/20 0.34

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
SCHEMBL15041745 0.94 JAK3 (0.36) JAK3TNK2SRCEGFRITK
SCHEMBL15035024 0.83 TNK2 (0.37) JAK3TNK2SRCFGFR1CDK4
SCHEMBL15041772 0.83 TNK2 (0.37) JAK3TNK2SRCFGFR1CDK4
SCHEMBL15034910 0.79 TNK2 (0.37) JAK3TNK2SRCEGFRITK
SCHEMBL15035885 0.77 TNK2 (0.36) JAK3TNK2SRCCDK4CCND1
SCHEMBL15034889 0.77 JAK3 (0.39) JAK3TNK2SRCEGFR
SCHEMBL15035796 0.76 TNK2 (0.37) JAK3TNK2SRCEGFRITK
SCHEMBL15035057 0.76 TNK2 (0.35) JAK3TNK2SRCEGFR
SCHEMBL15035668 0.76 JAK3 (0.35) JAK3TNK2SRC
SCHEMBL15034843 0.74 TNK2 (0.36) JAK3TNK2SRCEGFR

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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 JAK3 473/4885TNK2 10/4885SRC 325/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885TNK2 7/4885SRC 26/4885

“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.