SCHEMBL2570320

SCHEMBL2570320

O=CNCc1ccc(N2CCOCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
PARP1 P09874 1/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL4647849 0.82 ALDH1A1 (0.55) AOC3CYP11B1CYP11B2PARP1ALDH1A1
SCHEMBL13680821 0.82 AOC3 (0.57) AOC3CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL10154089 0.81 CYP11B1 (0.60) AOC3CYP11B1CYP11B2PARP1ALDH1A1
SCHEMBL3304463 0.79 L3MBTL1 (0.54) ALDH1A1CYP1A2KDM4EMAPTSMN1; SMN2
SCHEMBL1124113 0.78 PARP1 (0.54) AOC3CYP11B1CYP11B2PARP1ALDH1A1
SCHEMBL17221698 0.76 CYP11B1 (0.57) AOC3CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL857231 0.76 CYP11B1 (0.57) AOC3CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL1240178 0.76 CYP11B1 (0.57) AOC3CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL18291866 0.76 CYP11B1 (0.57) AOC3CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL149381 0.76 CYP11B1 (0.60) AOC3CYP11B1CYP11B2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP claimed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 WO claimed
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
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
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP disclosed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 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 (2 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 AOC3 4300/4885CYP11B1 4331/4885CYP11B2 4587/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 AOC3 4456/4885CYP11B1 1336/4885CYP11B2 1266/4885

“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.