SCHEMBL2052097

SCHEMBL2052097

CCC(=O)Nc1nc(Nc2ccccc2)nc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.56
GRK5 P34947 2/20 0.53
PAK4 O96013 3/20 0.52
JAK1 P23458 2/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
JAK3 P52333 3/20 0.49
EGFR P00533 1/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
LRRK2 Q5S007 3/20 0.48
CHEK1 O14757 2/20 0.48
AURKA O14965 2/20 0.48
DAPK3 O43293 2/20 0.48
JAK2 O60674 2/20 0.48
MAP4K4 O95819 2/20 0.48
RET P07949 2/20 0.48
LTK P29376 2/20 0.48
KDR P35968 2/20 0.48
MAP2K2 P36507 2/20 0.48
MAPK8 P45983 2/20 0.48

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
SCHEMBL28456343 0.76 TAAR1 (0.66) PAK4IRAK4MAPTGAALRRK2
SCHEMBL14547925 0.76 PAK4 (0.57) PTK2PAK4JAK1IRAK4TTK
SCHEMBL20776757 0.73 PTK2 (1.00) PTK2GRK5EGFRGAABTK
SCHEMBL14547919 0.72 LRRK2 (0.70) PTK2GRK5PAK4JAK1IRAK4
SCHEMBL28452246 0.72 PAK4 (0.51) PTK2GRK5PAK4JAK1IRAK4
SCHEMBL28374655 0.71 JAK2 (0.57) PTK2JAK2
SCHEMBL15102600 0.70 ADORA3 (0.59) JAK3EGFRMAPTGAAMEN1
SCHEMBL14547770 0.70 PTK2 (0.53) PTK2GRK5PAK4JAK3MAPT
SCHEMBL28612718 0.69 PTK2 (0.81) PTK2GRK5MEN1KMT2A
SCHEMBL14287378 0.69 LRRK2 (0.69) PTK2GRK5PAK4JAK3LRRK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 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 (1 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PTK2 781/4885GRK5 1292/4885PAK4 603/4885

“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.