Sugi Predict

Sugi Predict / Compounds / SCHEMBL3766933

SCHEMBL3766933

SCHEMBL3766933

CC(C)Oc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cn3)ccc2[N+](=O)[O-])n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ JAK2 O60674 10/20 0.41
▸ JAK3 P52333 7/20 0.41
▸ BRD4 O60885 2/20 0.39
▸ FLT3 P36888 3/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ PTK2 Q05397 2/20 0.37
▸ BTK Q06187 2/20 0.37
▸ ALK Q9UM73 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ FGR P09769 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PHKG2 P15735 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ SIK1 P57059 1/20 0.37
▸ MAP3K9 P80192 1/20 0.37
▸ ITK Q08881 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ TSSK2 Q96PF2 1/20 0.37

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
SCHEMBL3666735 0.91 NTRK1 (0.49) NTRK1KCNH2JAK2JAK3BRD4
SCHEMBL2572982 0.89 NTRK1 (0.56) NTRK1KCNH2BRD4CDK2CDK9
SCHEMBL2572976 0.89 NTRK1 (0.56) NTRK1KCNH2BRD4CDK2CDK9
SCHEMBL3008289 0.88 NTRK1 (0.44) NTRK1KCNH2JAK2JAK3FLT3
SCHEMBL29073152 0.82 NTRK1 (0.54) NTRK1JAK2JAK3BRD4FLT3
SCHEMBL29073154 0.82 NTRK1 (0.54) NTRK1JAK2JAK3BRD4FLT3
SCHEMBL2561716 0.81 NTRK1 (0.70) NTRK1JAK2JAK3BRD4AURKA
SCHEMBL2561721 0.81 NTRK1 (0.70) NTRK1JAK2JAK3BRD4AURKA
SCHEMBL3024160 0.80 NTRK1 (0.42) NTRK1KCNH2JAK2JAK3FLT3
SCHEMBL3012333 0.79 NTRK1 (0.43) NTRK1KCNH2JAK2JAK3FLT3

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 NTRK1 4667/4885KCNH2 3216/4885JAK2 15/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L NTRK1 4667/4885KCNH2 3216/4885JAK2 15/4885
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 4038/4885KCNH2 1842/4885JAK2 81/4885

“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.