Sugi Predict

Sugi Predict / Compounds / SCHEMBL3780040

SCHEMBL3780040

SCHEMBL3780040

CC(C)Oc1cc(Nc2nc(N)nc([C@H](C)c3ncc(F)cn3)c2[N+](=O)[O-])n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.38
▸ JAK3 P52333 10/20 0.38
▸ NTRK1 P04629 6/20 0.35
▸ AURKA O14965 3/20 0.35
▸ AURKB Q96GD4 3/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ STK10 O94804 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ RET P07949 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FER P16591 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ STAT5A P42229 1/20 0.35
▸ CDK3 Q00526 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ TNK2 Q07912 1/20 0.35

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
SCHEMBL3769207 0.89 JAK2 (0.39) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL3665548 0.87 JAK2 (0.39) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL217588 0.80 JAK2 (0.43) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL220471 0.80 JAK2 (0.43) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL3668049 0.78 JAK2 (0.40) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL588889 0.75 JAK2 (0.40) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL29073152 0.74 NTRK1 (0.54) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL3013235 0.74 JAK2 (0.48) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL29073154 0.74 NTRK1 (0.54) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL3776392 0.73 JAK2 (0.49) JAK2JAK3NTRK1AURKAAURKB

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.