SCHEMBL3137277

SCHEMBL3137277

O=[N+]([O-])c1cc(Cl)c(Nc2cc(C3CC3)[nH]n2)nc1NCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.56
NTRK1 P04629 13/20 0.55
IGF1R P08069 3/20 0.51
PIK3C3 Q8NEB9 1/20 0.45

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
SCHEMBL3129628 0.84 NUAK1 (0.60) NUAK1NTRK1IGF1R
SCHEMBL2573694 0.83 NTRK1 (0.78) NUAK1NTRK1IGF1R
SCHEMBL2564629 0.83 NTRK1 (0.68) NUAK1NTRK1IGF1R
SCHEMBL27856018 0.83 NTRK1 (0.68) NUAK1NTRK1IGF1R
SCHEMBL3424837 0.82 NTRK1 (0.60) NUAK1NTRK1IGF1R
SCHEMBL4696873 0.81 NTRK1 (0.78) NUAK1NTRK1IGF1R
SCHEMBL57691 0.81 NTRK1 (0.78) NUAK1NTRK1IGF1R
SCHEMBL5029800 0.81 NTRK1 (0.66) NUAK1NTRK1IGF1R
SCHEMBL2570794 0.81 NTRK1 (0.66) NUAK1NTRK1IGF1R
SCHEMBL2570591 0.80 IGF1R (0.59) NUAK1NTRK1IGF1RPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
EP-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP disclosed
US-20080108669-A1 Use 541 ASTRAZENECA AB (SE) 2008-05-08 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-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 NUAK1 1374/4885NTRK1 3837/4885IGF1R 4832/4885

“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.