SCHEMBL2561707

SCHEMBL2561707

CNC(=O)C(=O)Cc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.54
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
BLM P54132 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.49
RECQL P46063 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 3/20 0.49
HSD17B10 Q99714 3/20 0.49
ESR1 P03372 2/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAPDH P04406 1/20 0.49
APEX1 P27695 1/20 0.49
PTPN7 P35236 1/20 0.49

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
SCHEMBL6664763 0.83 HPGD (0.50) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL2561704 0.82 HPGD (0.53) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL5495002 0.81 HPGD (0.66) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL1200934 0.79 HPGD (0.53) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL2680470 0.77 CYP2C19 (0.55) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL8579085 0.76 HPGD (0.53) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL4775990 0.76 POLB (0.55) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL175382 0.75 HPGD (0.53) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL681510 0.75
SCHEMBL7353467 0.74 HPGD (0.60) POLBALDH1A1HPGDMEN1KMT2A

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 POLB 3404/4885ALDH1A1 2891/4885HPGD 1759/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 POLB 1053/4885ALDH1A1 2045/4885HPGD 1030/4885

“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.