SCHEMBL15041745

SCHEMBL15041745

CN1CCCC(Nc2ccc(Nc3ncc4cc(C(=O)c5ccccc5)c(=O)n(Cc5ccn(C)c5-c5nccs5)c4n3)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.36
TNK2 Q07912 4/20 0.36
SRC P12931 3/20 0.36
AXL P30530 1/20 0.35
AURKA O14965 1/20 0.35
CDK1 P06493 1/20 0.35
AURKB Q96GD4 1/20 0.35
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
FGFR1 P11362 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPK14 Q16539 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35

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
SCHEMBL15034801 0.94 JAK3 (0.36) JAK3TNK2SRCAXLCDK4
SCHEMBL15035024 0.90 TNK2 (0.37) JAK3TNK2SRCAXLCDK4
SCHEMBL15041772 0.90 TNK2 (0.37) JAK3TNK2SRCAXLCDK4
SCHEMBL15041411 0.79 TNK2 (0.38) JAK3TNK2SRCAXLCDK4
SCHEMBL15041422 0.77 TNK2 (0.37) JAK3TNK2SRCCDK4CCND1
SCHEMBL15041187 0.77 PTK2 (0.40) JAK3TNK2SRCABL1PDGFRB
SCHEMBL15041418 0.76 TNK2 (0.38) JAK3TNK2SRCCDK4CCND1
SCHEMBL15041392 0.76 TNK2 (0.36) JAK3TNK2SRCABL1PDGFRB
SCHEMBL15041823 0.76 TNK2 (0.36) JAK3TNK2SRCCDK4CCND1
SCHEMBL15041406 0.74 TNK2 (0.36) JAK3TNK2SRCABL1PDGFRB

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.