SCHEMBL3775459

SCHEMBL3775459

CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ncccn4)nc32)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 18/20 0.60
JAK2 O60674 3/20 0.52
ALK Q9UM73 2/20 0.49
ABL1 P00519 1/20 0.49
FGR P09769 1/20 0.49
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
PHKG2 P15735 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 0.49
SIK1 P57059 1/20 0.49
MAP3K9 P80192 1/20 0.49
PTK2 Q05397 1/20 0.49
BTK Q06187 1/20 0.49
ITK Q08881 1/20 0.49
MAPK14 Q16539 1/20 0.49
TSSK2 Q96PF2 1/20 0.49
WNK3 Q9BYP7 1/20 0.49
KCNH2 Q12809 1/20 0.42
JAK3 P52333 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
Azd-7451 SCHEMBL18797141 0.90 NTRK1 (0.76) NTRK1JAK2ALKABL1FGR
Azd-7451 SCHEMBL29690227 0.90 NTRK1 (0.76) NTRK1JAK2ALKABL1FGR
Azd-7451 SCHEMBL3769178 0.90 NTRK1 (0.76) NTRK1JAK2ALKABL1FGR
SCHEMBL57147 0.90 NTRK1 (0.56) NTRK1JAK2ALKABL1FGR
Azd-7451 SCHEMBL29073122 0.85 NTRK1 (0.72) NTRK1JAK2ALKABL1FGR
Azd-7451 SCHEMBL29690374 0.85 NTRK1 (0.72) NTRK1JAK2ALKABL1FGR
Azd-7451 SCHEMBL29073123 0.85 NTRK1 (0.72) NTRK1JAK2ALKABL1FGR
SCHEMBL3705688 0.85 NTRK1 (0.59) NTRK1JAK2ALKABL1FGR
SCHEMBL3777718 0.82 NTRK1 (0.77) NTRK1JAK2ALKABL1FGR
SCHEMBL3773386 0.79 NTRK1 (0.75) NTRK1JAK2ALKABL1FGR

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 13 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-20150011545-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2015-01-08 US disclosed
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-20140155394-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2014-06-05 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-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-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
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
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
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 NTRK1 4667/4885JAK2 15/4885ALK 1807/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L NTRK1 4667/4885JAK2 15/4885ALK 1807/4885
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 NTRK1 4038/4885JAK2 81/4885ALK 988/4885

“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.