SCHEMBL4697752

SCHEMBL4697752

CC(C)Oc1cc(Nc2cc(N[C@@H](C)c3ccc(F)cc3)ccc2[N+](=O)[O-])n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.49
SIRT5 Q9NXA8 1/20 0.36
JAK2 O60674 3/20 0.36
JAK3 P52333 2/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GRK6 P43250 4/20 0.35
EPAS1 Q99814 1/20 0.35
AURKA O14965 1/20 0.35
MAPK1 P28482 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL4092710 0.87 NTRK1 (0.42) NTRK1SMN1; SMN2EPAS1AURKAMAPK1
SCHEMBL3129884 0.84 NTRK1 (0.61) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2561716 0.83 NTRK1 (0.70) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2561721 0.83 NTRK1 (0.70) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2634156 0.83 NTRK1 (0.72) NTRK1JAK2JAK3
SCHEMBL5029672 0.81 NTRK1 (0.53) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4748708 0.79 NTRK1 (0.54) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4697054 0.79 NTRK1 (0.54) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL3137771 0.79 NTRK1 (0.54) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2572982 0.74 NTRK1 (0.56) NTRK1GRK6BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954699-B1 PYRIDO-, PYRAZO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS mTOR INHIBITORS KUDOS PHARM LTD (GB) 2012-09-19 EP disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
EP-1954699-A1 PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Kudos Pharmaceuticals Ltd (GB) 2008-08-13 EP disclosed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed
WO-2007060404-A1 PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-05-31 WO 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-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A NTRK1 790/4885SIRT5 3739/4885JAK2 3010/4885

“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.