SCHEMBL2565249

SCHEMBL2565249

Cc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)c([N+](=O)[O-])cc2F)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.52
JAK2 O60674 6/20 0.52
LIMK1 P53667 1/20 0.52
LIMK2 P53671 1/20 0.52
NTRK1 P04629 8/20 0.45
AURKA O14965 2/20 0.44
AURKB Q96GD4 1/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C8 P10632 3/20 0.44
CYP2C9 P11712 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
CYP2C19 P33261 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CDK2 P24941 2/20 0.43
MUSK O15146 1/20 0.43
LCK P06239 1/20 0.43
RET P07949 1/20 0.43
FGFR3 P22607 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
SCHEMBL2565254 1.00 JAK3 (0.52) JAK3JAK2LIMK1LIMK2NTRK1
SCHEMBL2566973 0.91 NTRK1 (0.50) JAK3JAK2LIMK1LIMK2NTRK1
SCHEMBL2568430 0.89 NTRK1 (0.48) JAK3JAK2LIMK1LIMK2NTRK1
SCHEMBL2569981 0.89 NTRK1 (0.52) JAK3JAK2LIMK1LIMK2NTRK1
SCHEMBL2569978 0.89 NTRK1 (0.52) JAK3JAK2LIMK1LIMK2NTRK1
SCHEMBL3018456 0.88 JAK3 (0.54) JAK3JAK2LIMK1LIMK2NTRK1
SCHEMBL3139815 0.87 JAK2 (0.68) JAK3JAK2LIMK1LIMK2NTRK1
SCHEMBL4697204 0.86 NTRK1 (0.58) JAK3JAK2LIMK1LIMK2NTRK1
SCHEMBL4697209 0.86 NTRK1 (0.58) JAK3JAK2LIMK1LIMK2NTRK1
SCHEMBL2573786 0.86 NTRK1 (0.61) JAK3JAK2NTRK1

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 8 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
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US disclosed
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-11 US disclosed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US 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
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US 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 (3 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK JAK3 697/4885JAK2 341/4885LIMK1 296/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 JAK3 263/4885JAK2 226/4885LIMK1 490/4885
US-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 JAK3 2868/4885JAK2 1797/4885LIMK1 1569/4885

“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.