SCHEMBL15041406

SCHEMBL15041406

CN1CCOC(c2ccc(Nc3ncc4cc(C(=O)c5ccccc5)c(=O)n(Cc5ncsc5-c5nccs5)c4n3)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 7/20 0.36
SRC P12931 3/20 0.36
JAK3 P52333 5/20 0.35
PAK4 O96013 1/20 0.35
PKN1 Q16512 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 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
SCHEMBL15034843 0.94 TNK2 (0.36) TNK2SRCJAK3PAK4PKN1
SCHEMBL15041392 0.89 TNK2 (0.36) TNK2SRCJAK3PAK4PKN1
SCHEMBL15035057 0.83 TNK2 (0.35) TNK2SRCJAK3PAK4PKN1
SCHEMBL15041644 0.82 JAK3 (0.36) TNK2SRCJAK3PAK4PKN1
SCHEMBL15035711 0.80 PTK2 (0.36) TNK2SRCJAK3PAK4PKN1
SCHEMBL15041237 0.80 TNK2 (0.37) TNK2SRCJAK3PAK4PKN1
SCHEMBL15280145 0.77 JAK3 (0.35) TNK2SRCJAK3PAK4PKN1
SCHEMBL15035828 0.76 JAK3 (0.36) TNK2SRCJAK3PAK4PKN1
SCHEMBL15035024 0.74 TNK2 (0.37) TNK2SRCJAK3ABL1PDGFRB
SCHEMBL15041772 0.74 TNK2 (0.37) 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.