SCHEMBL7479848

SCHEMBL7479848

OC1(c2cc(F)cc(F)c2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
ALOX5 P09917 3/20 0.43
HRH3 Q9Y5N1 1/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
HTR1D P28221 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CYP11B2 P19099 2/20 0.34

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
SCHEMBL1599387 0.89 ALOX5 (0.42) HDAC3HDAC1HDAC2HDAC6ALOX5
SCHEMBL12077298 0.88 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6ALOX5
Methyl Alcohol SCHEMBL15609328 0.85 CHRNA1 (0.39) HDAC3HDAC1HDAC2HDAC6ALOX5
SCHEMBL23231962 0.84 CA12 (0.39) HDAC3HDAC1HDAC2HDAC6ALOX5
SCHEMBL12078176 0.80 CA12 (0.36) HDAC3HDAC1HDAC2HDAC6HRH3
SCHEMBL12077778 0.80 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6HRH3
SCHEMBL15420336 0.79 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6ALOX5
SCHEMBL12078222 0.78 CHRNA1 (0.41) HDAC3HDAC1HDAC2HDAC6CHRNA1
SCHEMBL9367762 0.78 ALOX5 (0.41) ALOX5OPRM1OPRD1OPRK1OPRL1
SCHEMBL18259559 0.77 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6ALOX5

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861585-B1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2019-01-09 EP disclosed
US-9802918-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-9802918-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-9802918-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-9540347-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-01-10 US disclosed
US-9540347-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-01-10 US disclosed
US-9540347-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-01-10 US disclosed
US-5276037-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
US-5272173-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
US-5260442-A Process for the manufacture of crystalline quinolinium salts and their oxidation to 1-alkyl-2-quinolones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-09 US disclosed
US-5240941-A Enzyme inhibitors; antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-08-31 US disclosed
US-5225438-A Lipoxygenase inhibitors for antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 EP disclosed
EP-0485111-A2 The use of lipoxygenase and cyclooxygenase inhibitors as synergistic agents ZENECA LIMITED (GB) 1992-05-13 EP disclosed
EP-0466452-A2 Thioxo heterocycles and their pharmaceutical use ZENECA LIMITED (GB) 1992-01-15 EP disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP 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-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 HDAC3 1783/4885HDAC1 1189/4885HDAC2 1850/4885

“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.