SCHEMBL2576261

SCHEMBL2576261

Nc1nc(Nc2cc(C3CC3)[nH]n2)c([N+](=O)[O-])c(Cc2ccc(F)cc2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.49
IGF1R P08069 6/20 0.48
NUAK1 O60285 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.43

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
SCHEMBL2570471 0.83 NTRK1 (0.51) NTRK1IGF1RNUAK1PIK3C3
SCHEMBL4698240 0.78 NTRK1 (0.52) NTRK1IGF1RNUAK1PIK3C3
SCHEMBL4070048 0.75 IGF1R (0.60) NTRK1IGF1RNUAK1
SCHEMBL3137277 0.74 NUAK1 (0.56) NTRK1IGF1RNUAK1PIK3C3
SCHEMBL3137650 0.71 HTT (0.48) NTRK1
SCHEMBL56235 0.71 IGF1R (0.54) NTRK1IGF1RPIK3C3
SCHEMBL57255 0.71 NTRK1 (0.64) NTRK1IGF1R
SCHEMBL57256 0.71 NTRK1 (0.64) NTRK1IGF1R
SCHEMBL3129628 0.71 NUAK1 (0.60) NTRK1IGF1RNUAK1
SCHEMBL3424837 0.71 NTRK1 (0.60) NTRK1IGF1RNUAK1

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 6 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-2383268-A1 Pyrazolylaminopyridine derivatives useful as kinase inhibitors AstraZeneca AB (SE) 2011-11-02 EP disclosed
EP-2164490-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. AstraZeneca AB (SE) 2010-03-24 EP disclosed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed
US-20080108669-A1 Use 541 ASTRAZENECA AB (SE) 2008-05-08 US disclosed
WO-2008054292-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. ASTRAZENECA AB (SE) 2008-05-08 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-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 NTRK1 3837/4885IGF1R 4832/4885NUAK1 1374/4885

“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.