SCHEMBL57394

SCHEMBL57394

CC(Nc1nc(Nc2cc(C3CC3)[nH]n2)c([N+](=O)[O-])c(C(=O)O)n1)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.65
IGF1R P08069 7/20 0.56
JAK2 O60674 1/20 0.53
JAK3 P52333 1/20 0.53

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
SCHEMBL57628 0.88 NTRK1 (0.66) NTRK1IGF1RJAK2JAK3
SCHEMBL2634640 0.82 NTRK1 (0.77) NTRK1IGF1RJAK2JAK3
SCHEMBL57255 0.80 NTRK1 (0.64) NTRK1IGF1RJAK2JAK3
SCHEMBL57256 0.80 NTRK1 (0.64) NTRK1IGF1RJAK2JAK3
SCHEMBL2634350 0.79 NTRK1 (1.00) NTRK1IGF1RJAK2JAK3
SCHEMBL3124552 0.78 NTRK1 (0.76) NTRK1IGF1RJAK2JAK3
SCHEMBL2565335 0.78 NTRK1 (0.76) NTRK1IGF1RJAK2JAK3
SCHEMBL17044023 0.78 NTRK1 (0.88) NTRK1IGF1RJAK2JAK3
SCHEMBL3130155 0.78 NTRK1 (0.88) NTRK1IGF1RJAK2JAK3
SCHEMBL4072982 0.78 NTRK1 (0.75) NTRK1IGF1RJAK2JAK3

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-20120122892-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-8129403-B2 e.g. 2-[9-(5-Cyclopropyl-1H-pyrazol-3-yl)-6-methyl-9H-purin-2-ylamino]-2-(4-fluorophenyl)ethanol; tropomyosin-related kinases (Trk's) inhibitor; anticarcinoganic agent; solid tumors and leukemia ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20080176872-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-07-24 US disclosed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP 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 (2 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-20080176872-A1 Chemical Compounds TP53, XPOT, KRAS NTRK1 4732/4885IGF1R 3024/4885JAK2 812/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS NTRK1 4681/4885IGF1R 2806/4885JAK2 873/4885

“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.