SCHEMBL3781802

SCHEMBL3781802

CCOc1cc(-n2cnc3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.76
JAK2 O60674 2/20 0.76
ALK Q9UM73 5/20 0.65
ABL1 P00519 1/20 0.65
FGR P09769 1/20 0.65
FGFR1 P11362 1/20 0.65
SRC P12931 1/20 0.65
PHKG2 P15735 1/20 0.65
FLT4 P35916 1/20 0.65
FLT3 P36888 1/20 0.65
SIK1 P57059 1/20 0.65
MAP3K9 P80192 1/20 0.65
PTK2 Q05397 1/20 0.65
BTK Q06187 1/20 0.65
ITK Q08881 1/20 0.65
MAPK14 Q16539 1/20 0.65
TSSK2 Q96PF2 1/20 0.65
WNK3 Q9BYP7 1/20 0.65
KCNH2 Q12809 1/20 0.54

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
SCHEMBL3780638 0.90 NTRK1 (0.74) NTRK1JAK2ALKABL1FGR
SCHEMBL3777718 0.90 NTRK1 (0.77) NTRK1JAK2ALKABL1FGR
SCHEMBL3773386 0.89 NTRK1 (0.75) NTRK1JAK2ALKABL1FGR
SCHEMBL3766926 0.89 NTRK1 (0.75) NTRK1JAK2ALKABL1FGR
SCHEMBL3775158 0.86 NTRK1 (1.00) NTRK1JAK2ALKABL1FGR
SCHEMBL3775950 0.84 NTRK1 (0.75) NTRK1JAK2ALKABL1FGR
SCHEMBL3766966 0.82 NTRK1 (1.00) NTRK1JAK2ALKABL1FGR
SCHEMBL3778126 0.81 NTRK1 (0.75) NTRK1JAK2ALKABL1FGR
Azd-7451 SCHEMBL18797141 0.79 NTRK1 (0.76) NTRK1JAK2ALKABL1FGR
Azd-7451 SCHEMBL3769178 0.79 NTRK1 (0.76) 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.