SCHEMBL4788903

SCHEMBL4788903

COc1cc(Nc2cc(C)[nH]n2)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.49
PLK4 O00444 1/20 0.49
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIK3C3 Q8NEB9 3/20 0.42
GSK3B P49841 2/20 0.42
AURKA O14965 10/20 0.40
ITK Q08881 1/20 0.40
AURKB Q96GD4 4/20 0.39
IGF1R P08069 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL3852263 0.82 PAK4 (0.44) PAK4PLK4MEN1HTTKMT2A
SCHEMBL343410 0.81 PAK4 (0.54) PAK4PLK4MEN1HTTKMT2A
SCHEMBL220647 0.81 PAK4 (0.57) PAK4PLK4MEN1HTTKMT2A
SCHEMBL20943748 0.78 SYK (0.47) PAK4PLK4MEN1HTTKMT2A
SCHEMBL3993234 0.77 PAK4 (0.49) PAK4PLK4MEN1HTTKMT2A
SCHEMBL22079284 0.77 PAK4 (0.49) PAK4PLK4MEN1HTTKMT2A
SCHEMBL24350501 0.75 PIK3C3 (0.54) PAK4PLK4MEN1HTTKMT2A
SCHEMBL4116079 0.75 PAK4 (0.48) PAK4PLK4MEN1HTTKMT2A
SCHEMBL3852003 0.75 PAK4 (0.43) PAK4PLK4MEN1HTTKMT2A
SCHEMBL3939475 0.74 PAK4 (0.56) PAK4PLK4MEN1HTTKMT2A

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-20080269266-A1 NOVEL COMPOUNDS 747 ASTRAZENECA AB (SE) 2008-10-30 US disclosed
WO-2008117051-A1 S-6-METH0XY-2- (2- (3- (PYRIMID-2-YL) IS0XAZ0L-5-YL) PYRROLIDIN-1-YL) -4- (5-METHYL-IH-PYRAZOL-S-YLAMINO) PYRIMIDINE AND POLYMORPHIC FORMS THEREOF AS MODULATORS OF THE INSULIN-LIKE GROWTH ASTRAZENECA AB (SE) 2008-10-02 WO 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-20080269266-A1 NOVEL COMPOUNDS 747 UGT2B7, UGT1A7, CYP3A7 PAK4 802/4885PLK4 1613/4885MEN1 2989/4885

“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.