SCHEMBL3026049

SCHEMBL3026049

CC(C)Oc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.66
▸ NTRK1 P04629 12/20 0.48
▸ JAK2 O60674 6/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ FGR P09769 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ PHKG2 P15735 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ SIK1 P57059 1/20 0.41
▸ MAP3K9 P80192 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ ITK Q08881 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ TSSK2 Q96PF2 1/20 0.41
▸ WNK3 Q9BYP7 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ JAK3 P52333 3/20 0.41

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
SCHEMBL3026832 0.92 KCNH2 (0.68) KCNH2NTRK1JAK2FLT3ABL1
SCHEMBL3026499 0.91 KCNH2 (0.74) KCNH2NTRK1JAK2FLT3ABL1
SCHEMBL3021633 0.90 KCNH2 (0.52) KCNH2NTRK1JAK2FLT3ABL1
SCHEMBL3022265 0.87 KCNH2 (0.68) KCNH2NTRK1JAK2FLT3JAK3
SCHEMBL3022623 0.82 KCNH2 (0.59) KCNH2NTRK1JAK2FLT3ABL1
SCHEMBL3027748 0.82 KCNH2 (0.53) KCNH2NTRK1JAK2FLT3ABL1
SCHEMBL3123733 0.82 KCNH2 (0.42) KCNH2NTRK1JAK2FLT3ABL1
SCHEMBL3029292 0.82 NTRK1 (0.44) KCNH2NTRK1JAK2FLT3ABL1
SCHEMBL3123723 0.82 KCNH2 (0.42) KCNH2NTRK1JAK2FLT3ABL1
SCHEMBL3020033 0.77 JAK3 (0.57) KCNH2NTRK1JAK2FLT3JAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204246-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO (4,5-B) PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-08-12 — — 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 (1 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-20100204246-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO (4,5-B) PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ABL1, MCL1, ETV6 KCNH2 2505/4885NTRK1 4243/4885JAK2 4/4885

“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.

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