SCHEMBL3665778

SCHEMBL3665778

COc1nc(Cl)nc(Nc2cc(C)[nH]n2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.49
PAK4 O96013 1/20 0.49
PIK3C3 Q8NEB9 6/20 0.48
GSK3B P49841 1/20 0.47
AURKA O14965 9/20 0.41
AURKB Q96GD4 7/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
IGF1R P08069 1/20 0.37

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
SCHEMBL1101872 0.84 PLK4 (0.47) PLK4PAK4PIK3C3GSK3BAURKA
SCHEMBL14140114 0.81 PIK3C3 (0.48) PLK4PAK4PIK3C3GSK3BAURKA
SCHEMBL3663338 0.78 IGF1R (0.56) PLK4PAK4PIK3C3GSK3BAURKA
SCHEMBL3664305 0.76 PLK4 (0.44) PLK4PAK4PIK3C3GSK3BAURKA
SCHEMBL3669544 0.75 PIN1 (0.54) PLK4PAK4PIK3C3GSK3BAURKA
SCHEMBL3772448 0.73 JAK3 (0.57) AURKAAURKBIGF1R
SCHEMBL3719662 0.72 AURKA (0.53) PLK4PAK4PIK3C3GSK3BAURKA
SCHEMBL321260 0.72 MAPT (0.44) MEN1KMT2AMAPT
SCHEMBL56235 0.71 IGF1R (0.54) PIK3C3IGF1R
SCHEMBL12065099 0.71 DPP4 (0.40) MEN1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011545-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2015-01-08 US disclosed
US-20140155394-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2014-06-05 US disclosed
US-8486966-B2 9-(pyrazol-3-yl)-9H-purine-2-amine and 3-(pyrazol-3-yl) -3H-imidazo[4,5-B] pyridin-5-amine derivatives and their use for the treatment of cancer ASTRAZENECA AB (SE) 2013-07-16 US disclosed
US-20100324040-A1 9-(PYRAZOL-3-YL)-9H-PURINE-2-AMINE AND 3-(PYRAZOL-3-YL) -3H-IMIDAZO[4,5-B] PYRIDIN-5- AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-12-23 US disclosed
EP-2152705-A1 9- (PYRAZOL- 3 -YL) - 9H- PURINE-2 -AMINE AND 3- (PYRAZ0L-3-YL) -3H-IMIDAZ0 [4, 5-B]PYRIDIN-5-AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-02-17 EP disclosed
WO-2008135785-A1 9- (PYRAZOL- 3 -YL) - 9H- PURINE-2 -AMINE AND 3- (PYRAZ0L-3-YL) -3H-IMIDAZ0 [4, 5-B] PYRIDIN-5-AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-13 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 (3 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-20150011545-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L PLK4 1850/4885PAK4 1706/4885PIK3C3 538/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L PLK4 1850/4885PAK4 1706/4885PIK3C3 538/4885
US-20100324040-A1 9-(PYRAZOL-3-YL)-9H-PURINE-2-AMINE AND 3-(PYRAZOL-3-YL) -3H-IMIDAZO[4,5-B] PYRIDIN-5- AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER THPO, MPL, MCL1 PLK4 344/4885PAK4 883/4885PIK3C3 1908/4885

“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.