SCHEMBL2571347

SCHEMBL2571347

Nc1cc(-c2cc(C3CC3)[nH]n2)c([N+](=O)[O-])c(NCc2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
NTRK1 P04629 4/20 0.43
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRKCQ Q04759 1/20 0.39
MAPT P10636 5/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
IGF1R P08069 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2566466 0.85 NTRK1 (0.48) NTRK1MKNK1MKNK2IGF1R
SCHEMBL3137390 0.85 HTT (0.46) HTTNTRK1CYP1A2CYP3A4CYP2C9
SCHEMBL3137650 0.85 HTT (0.48) HTTNTRK1CYP1A2CYP3A4CYP2C9
SCHEMBL2577693 0.83 PRKCQ (0.44) HTTNTRK1CYP1A2CYP3A4CYP2C9
SCHEMBL3257549 0.83 NTRK1 (0.56) NTRK1MKNK1MKNK2IGF1R
SCHEMBL2565914 0.81 NTRK1 (0.39) HTTNTRK1CYP1A2CYP3A4CYP2C9
SCHEMBL4696504 0.80 CYP1A2 (0.49) HTTNTRK1CYP1A2CYP3A4CYP2C9
SCHEMBL3012762 0.78 NTRK1 (0.50) NTRK1
SCHEMBL2570471 0.77 NTRK1 (0.51) NTRK1IGF1R
SCHEMBL57067 0.74 NTRK1 (0.58) NTRK1MKNK1MKNK2MAPK1

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-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 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
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
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 HTT 2538/4885NTRK1 3837/4885CYP1A2 857/4885

“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.