SCHEMBL15041772

SCHEMBL15041772

CN1CCCC(Nc2ccc(Nc3ncc4cc(C(=O)c5ccccc5)c(=O)n(Cc5cnncc5-c5nccs5)c4n3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.37
SRC P12931 3/20 0.37
JAK3 P52333 5/20 0.37
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
MAPK14 Q16539 1/20 0.36
FGFR1 P11362 2/20 0.36
AXL P30530 1/20 0.35
WEE1 P30291 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 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
SCHEMBL15035024 0.94 TNK2 (0.37) TNK2SRCJAK3ABL1PDGFRB
SCHEMBL15041745 0.90 JAK3 (0.36) TNK2SRCJAK3ABL1PDGFRB
SCHEMBL15034801 0.83 JAK3 (0.36) TNK2SRCJAK3FGFR1AXL
SCHEMBL15041411 0.79 TNK2 (0.38) TNK2SRCJAK3FGFR1AXL
SCHEMBL15041422 0.78 TNK2 (0.37) TNK2SRCJAK3FGFR1CDK4
SCHEMBL15041418 0.77 TNK2 (0.38) TNK2SRCJAK3FGFR1CDK4
SCHEMBL15041187 0.76 PTK2 (0.40) TNK2SRCJAK3ABL1PDGFRB
SCHEMBL15036185 0.76 TNK2 (0.40) TNK2SRCABL1PDGFRBFGFR1
SCHEMBL15041823 0.76 TNK2 (0.36) TNK2SRCJAK3FGFR1CDK4
SCHEMBL15041312 0.76 CDK4 (0.40) TNK2SRCJAK3ABL1PDGFRB

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 TNK2 10/4885SRC 325/4885JAK3 473/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885SRC 26/4885JAK3 1901/4885

“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.