SCHEMBL3776169

SCHEMBL3776169

Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc(N3CCOCC3)c2[N+](=O)[O-])n[nH]1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.72
JAK2 O60674 17/20 0.72
NTRK1 P04629 2/20 0.58
KCNH2 Q12809 1/20 0.49
MUSK O15146 1/20 0.49
LCK P06239 1/20 0.49
RET P07949 1/20 0.49
FGFR3 P22607 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
FLT3 P36888 1/20 0.49
PTK2B Q14289 1/20 0.49

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
SCHEMBL3775405 0.85 NTRK1 (0.60) JAK3JAK2NTRK1MUSKLCK
SCHEMBL4982949 0.84 JAK3 (1.00) JAK3JAK2NTRK1MUSKLCK
SCHEMBL4978412 0.82 JAK3 (1.00) JAK3JAK2NTRK1MUSKLCK
SCHEMBL3772448 0.82 JAK3 (0.57) JAK3JAK2NTRK1MUSKLCK
SCHEMBL220017 0.78 JAK3 (0.88) JAK3JAK2NTRK1RETFLT3
SCHEMBL3773338 0.78 JAK3 (0.53) JAK3JAK2NTRK1MUSKLCK
SCHEMBL3772159 0.77 JAK3 (0.61) JAK3JAK2NTRK1RETCDK2
SCHEMBL4978285 0.75 JAK3 (1.00) JAK3JAK2NTRK1MUSKLCK
SCHEMBL4982233 0.75 JAK3 (1.00) JAK3JAK2NTRK1MUSKLCK
SCHEMBL3662424 0.74 AURKA (0.49) JAK3JAK2NTRK1

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