Sugi Predict

Sugi Predict / Compounds / SCHEMBL3769207

SCHEMBL3769207

SCHEMBL3769207

CC(C)Oc1cc(Nc2nc(N)nc([C@@H](C)c3ccc(F)cn3)c2[N+](=O)[O-])n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.39
▸ JAK3 P52333 10/20 0.39
▸ NTRK1 P04629 8/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ FLT3 P36888 3/20 0.37
▸ LCK P06239 2/20 0.37
▸ RET P07949 2/20 0.37
▸ MUSK O15146 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ PTK2B Q14289 1/20 0.37
▸ AURKA O14965 4/20 0.36
▸ NTRK3 Q16288 2/20 0.36
▸ NTRK2 Q16620 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ IGF1R P08069 2/20 0.36
▸ FGFR1 P11362 2/20 0.36
▸ PTK2 Q05397 2/20 0.36
▸ BTK Q06187 2/20 0.36
▸ ALK Q9UM73 2/20 0.36

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
SCHEMBL3780040 0.89 JAK2 (0.38) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL3668049 0.87 JAK2 (0.40) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL588800 0.82 JAK2 (0.43) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL588809 0.81 JAK2 (0.44) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL588501 0.81 JAK2 (0.44) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL3667655 0.81 JAK2 (0.37) JAK2JAK3NTRK1CDK2FLT3
Phosphoric Acid SCHEMBL589436 0.79 JAK2 (0.41) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL3665548 0.78 JAK2 (0.39) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL3025255 0.76 JAK3 (0.54) JAK2JAK3NTRK1CDK2FLT3
SCHEMBL3774509 0.75 JAK2 (0.52) JAK2JAK3NTRK1CDK2FLT3

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 4 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

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 JAK2 15/4885JAK3 363/4885NTRK1 4667/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L JAK2 15/4885JAK3 363/4885NTRK1 4667/4885
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 JAK2 81/4885JAK3 170/4885NTRK1 4038/4885

“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.