SCHEMBL3663952

SCHEMBL3663952

CCOc1cc(Nc2nc(Cl)ccc2[N+](=O)[O-])n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.46
MAPT P10636 4/20 0.44
RPS6KB2 Q9UBS0 2/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
HTT P42858 1/20 0.42
PIK3C3 Q8NEB9 3/20 0.40
IGF1R P08069 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NTRK1 P04629 1/20 0.39
GSK3B P49841 1/20 0.38
HSF1 Q00613 1/20 0.38
BRD4 O60885 1/20 0.37
MERTK Q12866 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
GSR P00390 1/20 0.37
TXNRD1 Q16881 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
SCHEMBL56788 0.84 MAPT (0.46) FGFR4MAPTRPS6KB2FGFR1FGFR2
SCHEMBL3719662 0.81 AURKA (0.53) FGFR4MAPTRPS6KB2FGFR1FGFR2
SCHEMBL720482 0.76 NPC1 (0.56) FGFR4MAPTRPS6KB2HTTALDH1A1
SCHEMBL10697897 0.75 MAPT (0.55) FGFR4MAPTRPS6KB2FGFR1FGFR2
SCHEMBL3666735 0.75 NTRK1 (0.49) FGFR3IGF1RNTRK1BRD4AURKA
SCHEMBL56519 0.74 IGF1R (0.63) FGFR4MAPTPIK3C3IGF1RNTRK1
SCHEMBL56940 0.71 PIN1 (0.48) PIK3C3IGF1RNTRK1GSK3B
SCHEMBL4072828 0.71 PLK4 (0.40) FGFR1FGFR2HTTIGF1R
SCHEMBL4073779 0.71 IGF1R (0.42) FGFR1HTTIGF1RNTRK1AURKA
SCHEMBL10697630 0.70 MAPT (0.55) FGFR4MAPTRPS6KB2FGFR1FGFR2

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 FGFR4 1899/4885MAPT 4613/4885RPS6KB2 785/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L FGFR4 1899/4885MAPT 4613/4885RPS6KB2 785/4885
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 FGFR4 2182/4885MAPT 4589/4885RPS6KB2 1546/4885

“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.