Sugi Predict

Sugi Predict / Compounds / SCHEMBL3779697

SCHEMBL3779697

SCHEMBL3779697

CCOc1cc(-c2cc(N[C@@H](C)c3ccc(F)cn3)nc(N)c2[N+](=O)[O-])n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.44
▸ JAK2 O60674 10/20 0.42
▸ JAK3 P52333 7/20 0.42
▸ ALK Q9UM73 5/20 0.38
▸ FLT3 P36888 3/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ PTK2 Q05397 2/20 0.37
▸ BTK Q06187 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
▸ WNK3 Q9BYP7 1/20 0.37
▸ MGMT P16455 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
SCHEMBL3775212 0.91 NTRK1 (0.44) NTRK1JAK2JAK3ALKMGMT
SCHEMBL3776063 0.89 NTRK1 (0.41) NTRK1JAK2JAK3FLT3FGFR1
SCHEMBL3771623 0.85 NTRK1 (0.50) NTRK1JAK2JAK3
SCHEMBL3013784 0.83 NTRK1 (0.39) NTRK1JAK2JAK3ALKFLT3
SCHEMBL15389561 0.76 JAK2 (0.42) NTRK1JAK2JAK3ALKFLT3
SCHEMBL3775597 0.73 JAK2 (0.48) NTRK1JAK2JAK3CDK2AURKB
SCHEMBL3012762 0.73 NTRK1 (0.50) NTRK1JAK2JAK3FLT3CDK2
SCHEMBL57067 0.72 NTRK1 (0.58) NTRK1JAK2JAK3MAPK1
SCHEMBL3667400 0.70 NTRK1 (0.52) NTRK1JAK2JAK3ALKFLT3
SCHEMBL3775237 0.70 NTRK1 (0.52) NTRK1JAK2JAK3ALKFLT3

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

“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.