SCHEMBL2566973

SCHEMBL2566973

Cc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)c([N+](=O)[O-])cc2Cl)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.50
JAK3 P52333 6/20 0.44
JAK2 O60674 5/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
AURKA O14965 4/20 0.43
AURKB Q96GD4 2/20 0.43
JAK1 P23458 4/20 0.42
TYK2 P29597 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C8 P10632 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
CYP1A2 P05177 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.41
PLK4 O00444 1/20 0.41
STK10 O94804 1/20 0.41
PAK4 O96013 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL2568430 0.96 NTRK1 (0.48) NTRK1JAK3JAK2LIMK1LIMK2
SCHEMBL2565254 0.91 JAK3 (0.52) NTRK1JAK3JAK2LIMK1LIMK2
SCHEMBL2565249 0.91 JAK3 (0.52) NTRK1JAK3JAK2LIMK1LIMK2
SCHEMBL27856019 0.89 NTRK1 (0.52) NTRK1JAK3PIK3C3
SCHEMBL2569117 0.89 NTRK1 (0.52) NTRK1JAK3PIK3C3
SCHEMBL2569978 0.87 NTRK1 (0.52) NTRK1JAK3JAK2LIMK1LIMK2
SCHEMBL2569981 0.87 NTRK1 (0.52) NTRK1JAK3JAK2LIMK1LIMK2
SCHEMBL2564629 0.86 NTRK1 (0.68) NTRK1JAK3JAK2
SCHEMBL27856018 0.86 NTRK1 (0.68) NTRK1JAK3JAK2
SCHEMBL4697204 0.85 NTRK1 (0.58) NTRK1JAK3JAK2LIMK1LIMK2

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
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 3837/4885JAK3 2868/4885JAK2 1797/4885

“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.