SCHEMBL3774702

SCHEMBL3774702

C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 1.00
JAK2 O60674 3/20 0.60
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
ALK Q9UM73 1/20 0.49
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3766966 0.89 NTRK1 (1.00) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL56800 0.88 NTRK1 (0.79) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL4750903 0.88 NTRK1 (0.79) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3779322 0.86 NTRK1 (1.00) NTRK1JAK2
SCHEMBL3773405 0.86 NTRK1 (1.00) NTRK1JAK2ABL1FGRFGFR1
Azd-7451 SCHEMBL29690227 0.83 NTRK1 (0.76) NTRK1JAK2ABL1FGRFGFR1
Azd-7451 SCHEMBL3769178 0.83 NTRK1 (0.76) NTRK1JAK2ABL1FGRFGFR1
Azd-7451 SCHEMBL18797141 0.83 NTRK1 (0.76) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3773386 0.82 NTRK1 (0.75) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL4696570 0.82 NTRK1 (0.75) NTRK1JAK2ABL1FGRFGFR1

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 11 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-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 15/4885ABL1 5/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L NTRK1 4667/4885JAK2 15/4885ABL1 5/4885
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 81/4885ABL1 12/4885

“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.