SCHEMBL3029607

SCHEMBL3029607

C[C@@H](c1ncc(F)cn1)n1cnc2cc(F)c(Nc3cc(C4CC4)[nH]n3)nc21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.59
NTRK1 P04629 10/20 0.51
NUAK1 O60285 1/20 0.49
JAK3 P52333 1/20 0.46
IGF1R P08069 7/20 0.46

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
SCHEMBL3011834 0.89 NTRK1 (0.61) JAK2NTRK1NUAK1JAK3IGF1R
SCHEMBL3134412 0.87 NTRK1 (0.58) JAK2NTRK1NUAK1JAK3IGF1R
SCHEMBL3134400 0.87 NTRK1 (0.58) JAK2NTRK1NUAK1JAK3IGF1R
SCHEMBL3133640 0.86 NTRK1 (0.56) JAK2NTRK1JAK3
SCHEMBL3023780 0.83 NTRK1 (0.45) JAK2NTRK1JAK3
SCHEMBL3029292 0.83 NTRK1 (0.44) JAK2NTRK1JAK3
SCHEMBL3124301 0.79 NUAK1 (0.68) JAK2NTRK1NUAK1JAK3IGF1R
SCHEMBL3124294 0.79 NUAK1 (0.68) JAK2NTRK1NUAK1JAK3IGF1R
SCHEMBL3126574 0.78 NUAK1 (0.56) JAK2NTRK1NUAK1JAK3
SCHEMBL3126595 0.78 NUAK1 (0.56) JAK2NTRK1NUAK1JAK3

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 JAK2 4/4885NTRK1 4243/4885NUAK1 1820/4885

“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.