SCHEMBL15034889

SCHEMBL15034889

C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(Cc2cccn2-c2nccs2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.39
PTK2 Q05397 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT6 P42226 1/20 0.37
ACVR1 Q04771 1/20 0.36
WEE1 P30291 2/20 0.36
JAK2 O60674 2/20 0.36
BRD4 O60885 2/20 0.36
PAK4 O96013 1/20 0.35
PKN1 Q16512 1/20 0.35
MAP4K1 Q92918 2/20 0.35
PKM P14618 1/20 0.35
KCNH2 Q12809 1/20 0.35
TNK2 Q07912 3/20 0.35
SRC P12931 2/20 0.35
EGFR P00533 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
SCHEMBL15041187 0.94 PTK2 (0.40) JAK3PTK2KDM4EMAPK1STAT6
SCHEMBL15035034 0.80 WEE1 (0.48) JAK3WEE1JAK2BRD4PAK4
SCHEMBL15035647 0.80 JAK3 (0.39) JAK3PTK2STAT6ACVR1WEE1
SCHEMBL15237019 0.80 JAK2 (0.39) JAK3PTK2STAT6ACVR1WEE1
SCHEMBL15041254 0.78 WEE1 (0.48) JAK3WEE1JAK2BRD4PAK4
SCHEMBL15034801 0.77 JAK3 (0.36) JAK3TNK2SRCEGFR
SCHEMBL15035782 0.76 PTK2 (0.38) JAK3PTK2STAT6JAK2BRD4
SCHEMBL15035869 0.76 PTK2 (0.41) JAK3PTK2STAT6ACVR1WEE1
SCHEMBL15041385 0.74 PTK2 (0.40) JAK3PTK2STAT6ACVR1JAK2
SCHEMBL15034843 0.74 TNK2 (0.36) JAK3WEE1JAK2PAK4PKN1

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 473/4885PTK2 74/4885KDM4E 2360/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885PTK2 12/4885KDM4E 2052/4885

“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.