SCHEMBL3663338

SCHEMBL3663338

CCOC(=O)c1nc(Cl)nc(Nc2cc(C)[nH]n2)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.56
PIK3C3 Q8NEB9 5/20 0.46
PLK4 O00444 1/20 0.44
PAK4 O96013 1/20 0.44
GSK3B P49841 1/20 0.43
AURKA O14965 5/20 0.38
AURKB Q96GD4 2/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 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 0.92 PLK4 (0.47) IGF1RPIK3C3PLK4PAK4GSK3B
SCHEMBL57809 0.87 IGF1R (0.74) IGF1RPIK3C3PAK4
SCHEMBL596030 0.84 IGF1R (0.49) IGF1RMEN1KMT2A
SCHEMBL20943801 0.83 PAK4 (0.47) IGF1RPLK4PAK4GSK3BAURKA
SCHEMBL3665778 0.78 PLK4 (0.49) IGF1RPIK3C3PLK4PAK4GSK3B
SCHEMBL3774662 0.77 JAK2 (0.56) IGF1RPLK4PAK4AURKAAURKB
SCHEMBL14140114 0.76 PIK3C3 (0.48) IGF1RPIK3C3PLK4PAK4GSK3B
SCHEMBL3773338 0.76 JAK3 (0.53) IGF1RAURKAAURKB
SCHEMBL1089085 0.75 AURKB (0.61) IGF1RPLK4PAK4GSK3BAURKA
SCHEMBL654797 0.75 LMNA (0.44) IGF1RMEN1HTTKMT2AHSD17B10

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 IGF1R 4085/4885PIK3C3 538/4885PLK4 1850/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L IGF1R 4085/4885PIK3C3 538/4885PLK4 1850/4885
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 IGF1R 3134/4885PIK3C3 1908/4885PLK4 344/4885

“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.